USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1051 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 102 TYR OH : rot 180:sc= -0.121 USER MOD Set 2.1: A 9 THR OG1 : rot 59:sc= 0.553 USER MOD Set 2.2: A 83 GLN : amide:sc= -1.11 K(o=-0.56,f=-1.7) USER MOD Set 3.1: A 8 ASN : amide:sc= 0.113 K(o=1.7,f=-4.6) USER MOD Set 3.2: A 61 LYS NZ :NH3+ 152:sc= 1.55 (180deg=0.462) USER MOD Single : A 2 LYS NZ :NH3+ 137:sc= 0.601 (180deg=0.0478) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.0258 F(o=-0.99,f=-0.026) USER MOD Single : A 11 ASN : amide:sc= -0.371 X(o=-0.37,f=-0.75) USER MOD Single : A 16 LYS NZ :NH3+ 149:sc= -0.596 (180deg=-1.77!) USER MOD Single : A 17 LYS NZ :NH3+ -142:sc= 0.896 (180deg=-0.384) USER MOD Single : A 19 LYS NZ :NH3+ -105:sc= 0.562 (180deg=-0.00332) USER MOD Single : A 20 LYS NZ :NH3+ 137:sc= 0.26 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.25) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.357 F(o=-0.9,f=-0.36) USER MOD Single : A 27 TYR OH : rot 130:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.885 X(o=-0.89,f=-0.67) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -145:sc= 0.856 (180deg=0.54) USER MOD Single : A 42 MET CE :methyl -172:sc= -1.03 (180deg=-1.15) USER MOD Single : A 43 LYS NZ :NH3+ -155:sc= -0.871 (180deg=-2.42!) USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0514) USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0514) USER MOD Single : A 50 ASN : amide:sc=-9.02e-05 K(o=-9e-05,f=-0.65) USER MOD Single : A 53 LYS NZ :NH3+ -143:sc= 1.26 (180deg=0.282) USER MOD Single : A 58 SER OG : rot 36:sc= 0.0131 USER MOD Single : A 59 ASN : amide:sc= -0.222 K(o=-0.22,f=-2.6!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -108:sc= -0.563 (180deg=-3.13) USER MOD Single : A 73 LYS NZ :NH3+ -176:sc=-0.00282 (180deg=-0.0376) USER MOD Single : A 76 TYR OH : rot -134:sc= 0.777 USER MOD Single : A 77 LYS NZ :NH3+ -170:sc= 0.591 (180deg=0.475) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 153:sc= 0.519 (180deg=-0.746) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 76:sc= 0.762 USER MOD Single : A 100 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.3!) USER MOD Single : A 106 LYS NZ :NH3+ -174:sc= -0.955 (180deg=-0.987) USER MOD Single : A 108 THR OG1 : rot -142:sc= 0.0402 USER MOD Single : A 115 LYS NZ :NH3+ -112:sc= 0.825 (180deg=0.00349) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -12.504 6.826 4.066 1.00 43.43 N ATOM 21 CA LYS A 2 -11.699 5.984 3.156 1.00 31.45 C ATOM 22 C LYS A 2 -10.201 6.216 3.452 1.00 33.11 C ATOM 23 O LYS A 2 -9.665 7.286 3.163 1.00 44.35 O ATOM 24 CB LYS A 2 -11.997 6.333 1.661 1.00 25.21 C ATOM 25 CG LYS A 2 -11.651 5.233 0.623 1.00 24.21 C ATOM 26 CD LYS A 2 -12.647 4.057 0.610 1.00 63.44 C ATOM 27 CE LYS A 2 -14.098 4.504 0.361 1.00 3.14 C ATOM 28 NZ LYS A 2 -14.236 5.378 -0.844 1.00 5.34 N ATOM 0 HA LYS A 2 -11.959 4.938 3.321 1.00 31.45 H new ATOM 0 HB2 LYS A 2 -13.057 6.571 1.569 1.00 25.21 H new ATOM 0 HB3 LYS A 2 -11.444 7.236 1.402 1.00 25.21 H new ATOM 0 HG2 LYS A 2 -11.618 5.681 -0.370 1.00 24.21 H new ATOM 0 HG3 LYS A 2 -10.652 4.849 0.833 1.00 24.21 H new ATOM 0 HD2 LYS A 2 -12.353 3.347 -0.163 1.00 63.44 H new ATOM 0 HD3 LYS A 2 -12.593 3.531 1.563 1.00 63.44 H new ATOM 0 HE2 LYS A 2 -14.729 3.623 0.240 1.00 3.14 H new ATOM 0 HE3 LYS A 2 -14.464 5.040 1.237 1.00 3.14 H new ATOM 0 HZ1 LYS A 2 -15.075 5.090 -1.387 1.00 5.34 H new ATOM 0 HZ2 LYS A 2 -14.340 6.368 -0.544 1.00 5.34 H new ATOM 0 HZ3 LYS A 2 -13.389 5.284 -1.440 1.00 5.34 H new ATOM 42 N GLU A 3 -9.559 5.234 4.088 1.00 62.33 N ATOM 43 CA GLU A 3 -8.096 5.224 4.312 1.00 4.05 C ATOM 44 C GLU A 3 -7.483 4.110 3.447 1.00 30.13 C ATOM 45 O GLU A 3 -7.896 2.957 3.546 1.00 35.24 O ATOM 46 CB GLU A 3 -7.740 5.004 5.817 1.00 51.51 C ATOM 47 CG GLU A 3 -8.204 6.109 6.804 1.00 34.04 C ATOM 48 CD GLU A 3 -9.699 6.080 7.136 1.00 4.31 C ATOM 49 OE1 GLU A 3 -10.109 5.238 7.961 1.00 75.02 O ATOM 50 OE2 GLU A 3 -10.474 6.894 6.598 1.00 0.21 O ATOM 0 H GLU A 3 -10.034 4.415 4.467 1.00 62.33 H new ATOM 0 HA GLU A 3 -7.687 6.194 4.030 1.00 4.05 H new ATOM 0 HB2 GLU A 3 -8.174 4.057 6.136 1.00 51.51 H new ATOM 0 HB3 GLU A 3 -6.658 4.903 5.901 1.00 51.51 H new ATOM 0 HG2 GLU A 3 -7.638 6.012 7.730 1.00 34.04 H new ATOM 0 HG3 GLU A 3 -7.958 7.083 6.381 1.00 34.04 H new ATOM 57 N LEU A 4 -6.502 4.446 2.601 1.00 45.41 N ATOM 58 CA LEU A 4 -5.914 3.485 1.639 1.00 22.12 C ATOM 59 C LEU A 4 -4.532 3.057 2.116 1.00 35.24 C ATOM 60 O LEU A 4 -3.712 3.903 2.431 1.00 31.44 O ATOM 61 CB LEU A 4 -5.824 4.090 0.207 1.00 31.23 C ATOM 62 CG LEU A 4 -7.165 4.187 -0.592 1.00 4.24 C ATOM 63 CD1 LEU A 4 -7.858 2.811 -0.698 1.00 3.20 C ATOM 64 CD2 LEU A 4 -8.113 5.256 -0.013 1.00 4.21 C ATOM 0 H LEU A 4 -6.092 5.379 2.557 1.00 45.41 H new ATOM 0 HA LEU A 4 -6.568 2.614 1.590 1.00 22.12 H new ATOM 0 HB2 LEU A 4 -5.400 5.091 0.285 1.00 31.23 H new ATOM 0 HB3 LEU A 4 -5.123 3.491 -0.374 1.00 31.23 H new ATOM 0 HG LEU A 4 -6.910 4.508 -1.602 1.00 4.24 H new ATOM 0 HD11 LEU A 4 -8.787 2.914 -1.259 1.00 3.20 H new ATOM 0 HD12 LEU A 4 -7.199 2.111 -1.212 1.00 3.20 H new ATOM 0 HD13 LEU A 4 -8.078 2.436 0.302 1.00 3.20 H new ATOM 0 HD21 LEU A 4 -9.030 5.286 -0.601 1.00 4.21 H new ATOM 0 HD22 LEU A 4 -8.353 5.008 1.021 1.00 4.21 H new ATOM 0 HD23 LEU A 4 -7.627 6.231 -0.049 1.00 4.21 H new ATOM 76 N ILE A 5 -4.290 1.741 2.141 1.00 1.10 N ATOM 77 CA ILE A 5 -2.997 1.153 2.536 1.00 50.44 C ATOM 78 C ILE A 5 -2.414 0.392 1.328 1.00 14.44 C ATOM 79 O ILE A 5 -3.013 -0.566 0.838 1.00 11.45 O ATOM 80 CB ILE A 5 -3.159 0.209 3.795 1.00 31.33 C ATOM 81 CG1 ILE A 5 -1.832 -0.558 4.113 1.00 21.22 C ATOM 82 CG2 ILE A 5 -4.363 -0.747 3.639 1.00 41.12 C ATOM 83 CD1 ILE A 5 -1.903 -1.522 5.293 1.00 2.30 C ATOM 0 H ILE A 5 -4.990 1.045 1.886 1.00 1.10 H new ATOM 0 HA ILE A 5 -2.308 1.945 2.829 1.00 50.44 H new ATOM 0 HB ILE A 5 -3.371 0.844 4.655 1.00 31.33 H new ATOM 0 HG12 ILE A 5 -1.533 -1.117 3.226 1.00 21.22 H new ATOM 0 HG13 ILE A 5 -1.047 0.173 4.309 1.00 21.22 H new ATOM 0 HG21 ILE A 5 -4.442 -1.380 4.523 1.00 41.12 H new ATOM 0 HG22 ILE A 5 -5.278 -0.165 3.526 1.00 41.12 H new ATOM 0 HG23 ILE A 5 -4.220 -1.372 2.757 1.00 41.12 H new ATOM 0 HD11 ILE A 5 -0.934 -2.002 5.430 1.00 2.30 H new ATOM 0 HD12 ILE A 5 -2.166 -0.972 6.197 1.00 2.30 H new ATOM 0 HD13 ILE A 5 -2.660 -2.282 5.097 1.00 2.30 H new ATOM 95 N LEU A 6 -1.271 0.871 0.821 1.00 30.55 N ATOM 96 CA LEU A 6 -0.579 0.272 -0.329 1.00 72.04 C ATOM 97 C LEU A 6 0.647 -0.489 0.185 1.00 41.20 C ATOM 98 O LEU A 6 1.496 0.108 0.831 1.00 63.25 O ATOM 99 CB LEU A 6 -0.147 1.366 -1.349 1.00 11.45 C ATOM 100 CG LEU A 6 -1.280 2.144 -2.105 1.00 54.41 C ATOM 101 CD1 LEU A 6 -2.126 3.038 -1.173 1.00 3.20 C ATOM 102 CD2 LEU A 6 -0.685 2.968 -3.259 1.00 40.44 C ATOM 0 H LEU A 6 -0.797 1.691 1.199 1.00 30.55 H new ATOM 0 HA LEU A 6 -1.255 -0.411 -0.844 1.00 72.04 H new ATOM 0 HB2 LEU A 6 0.465 2.096 -0.819 1.00 11.45 H new ATOM 0 HB3 LEU A 6 0.493 0.895 -2.096 1.00 11.45 H new ATOM 0 HG LEU A 6 -1.960 1.395 -2.511 1.00 54.41 H new ATOM 0 HD11 LEU A 6 -2.892 3.549 -1.756 1.00 3.20 H new ATOM 0 HD12 LEU A 6 -2.602 2.421 -0.410 1.00 3.20 H new ATOM 0 HD13 LEU A 6 -1.482 3.776 -0.694 1.00 3.20 H new ATOM 0 HD21 LEU A 6 -1.483 3.502 -3.774 1.00 40.44 H new ATOM 0 HD22 LEU A 6 0.034 3.685 -2.862 1.00 40.44 H new ATOM 0 HD23 LEU A 6 -0.183 2.302 -3.961 1.00 40.44 H new ATOM 114 N ILE A 7 0.721 -1.797 -0.082 1.00 24.10 N ATOM 115 CA ILE A 7 1.849 -2.652 0.335 1.00 34.54 C ATOM 116 C ILE A 7 2.792 -2.842 -0.861 1.00 31.05 C ATOM 117 O ILE A 7 2.342 -3.197 -1.941 1.00 41.14 O ATOM 118 CB ILE A 7 1.388 -4.076 0.862 1.00 12.42 C ATOM 119 CG1 ILE A 7 0.585 -4.001 2.201 1.00 10.41 C ATOM 120 CG2 ILE A 7 2.603 -5.012 1.039 1.00 31.13 C ATOM 121 CD1 ILE A 7 -0.769 -3.345 2.111 1.00 61.33 C ATOM 0 H ILE A 7 -0.002 -2.300 -0.596 1.00 24.10 H new ATOM 0 HA ILE A 7 2.349 -2.150 1.163 1.00 34.54 H new ATOM 0 HB ILE A 7 0.718 -4.479 0.102 1.00 12.42 H new ATOM 0 HG12 ILE A 7 0.454 -5.014 2.583 1.00 10.41 H new ATOM 0 HG13 ILE A 7 1.184 -3.459 2.933 1.00 10.41 H new ATOM 0 HG21 ILE A 7 2.265 -5.983 1.401 1.00 31.13 H new ATOM 0 HG22 ILE A 7 3.108 -5.138 0.081 1.00 31.13 H new ATOM 0 HG23 ILE A 7 3.295 -4.577 1.760 1.00 31.13 H new ATOM 0 HD11 ILE A 7 -1.240 -3.346 3.094 1.00 61.33 H new ATOM 0 HD12 ILE A 7 -0.653 -2.318 1.765 1.00 61.33 H new ATOM 0 HD13 ILE A 7 -1.394 -3.896 1.409 1.00 61.33 H new ATOM 133 N ASN A 8 4.089 -2.609 -0.659 1.00 23.03 N ATOM 134 CA ASN A 8 5.124 -2.873 -1.659 1.00 75.32 C ATOM 135 C ASN A 8 5.973 -4.048 -1.176 1.00 72.32 C ATOM 136 O ASN A 8 6.620 -3.958 -0.132 1.00 2.11 O ATOM 137 CB ASN A 8 5.994 -1.624 -1.870 1.00 14.11 C ATOM 138 CG ASN A 8 7.087 -1.775 -2.935 1.00 2.23 C ATOM 139 OD1 ASN A 8 8.186 -1.245 -2.777 1.00 33.25 O ATOM 140 ND2 ASN A 8 6.782 -2.438 -4.053 1.00 10.21 N ATOM 0 H ASN A 8 4.455 -2.227 0.213 1.00 23.03 H new ATOM 0 HA ASN A 8 4.664 -3.122 -2.615 1.00 75.32 H new ATOM 0 HB2 ASN A 8 5.348 -0.791 -2.148 1.00 14.11 H new ATOM 0 HB3 ASN A 8 6.464 -1.361 -0.922 1.00 14.11 H new ATOM 0 HD21 ASN A 8 7.468 -2.515 -4.804 1.00 10.21 H new ATOM 0 HD22 ASN A 8 5.863 -2.868 -4.156 1.00 10.21 H new ATOM 147 N THR A 9 5.904 -5.156 -1.904 1.00 65.15 N ATOM 148 CA THR A 9 6.630 -6.391 -1.579 1.00 31.34 C ATOM 149 C THR A 9 7.047 -7.105 -2.866 1.00 71.51 C ATOM 150 O THR A 9 6.237 -7.244 -3.792 1.00 32.22 O ATOM 151 CB THR A 9 5.766 -7.318 -0.646 1.00 23.44 C ATOM 152 OG1 THR A 9 6.327 -8.641 -0.552 1.00 61.04 O ATOM 153 CG2 THR A 9 4.300 -7.399 -1.090 1.00 55.33 C ATOM 0 H THR A 9 5.337 -5.229 -2.749 1.00 65.15 H new ATOM 0 HA THR A 9 7.535 -6.138 -1.027 1.00 31.34 H new ATOM 0 HB THR A 9 5.787 -6.856 0.341 1.00 23.44 H new ATOM 0 HG1 THR A 9 7.239 -8.585 -0.197 1.00 61.04 H new ATOM 0 HG21 THR A 9 3.750 -8.051 -0.412 1.00 55.33 H new ATOM 0 HG22 THR A 9 3.859 -6.402 -1.072 1.00 55.33 H new ATOM 0 HG23 THR A 9 4.248 -7.801 -2.102 1.00 55.33 H new ATOM 161 N ASN A 10 8.327 -7.518 -2.935 1.00 52.01 N ATOM 162 CA ASN A 10 8.865 -8.310 -4.060 1.00 10.30 C ATOM 163 C ASN A 10 9.004 -9.792 -3.690 1.00 15.54 C ATOM 164 O ASN A 10 9.686 -10.548 -4.392 1.00 44.34 O ATOM 165 CB ASN A 10 10.226 -7.741 -4.551 1.00 22.33 C ATOM 166 CG ASN A 10 10.119 -6.444 -5.360 1.00 61.31 C ATOM 167 OD1 ASN A 10 9.021 -6.251 -6.096 1.00 21.33 O flip ATOM 168 ND2 ASN A 10 11.040 -5.624 -5.356 1.00 41.00 N flip ATOM 0 H ASN A 10 9.018 -7.313 -2.213 1.00 52.01 H new ATOM 0 HA ASN A 10 8.148 -8.234 -4.878 1.00 10.30 H new ATOM 0 HB2 ASN A 10 10.864 -7.563 -3.685 1.00 22.33 H new ATOM 0 HB3 ASN A 10 10.721 -8.495 -5.162 1.00 22.33 H new ATOM 0 HD21 ASN A 10 11.869 -5.791 -4.786 1.00 41.00 H new ATOM 0 HD22 ASN A 10 10.972 -4.778 -5.922 1.00 41.00 H new ATOM 175 N ASN A 11 8.358 -10.214 -2.594 1.00 34.24 N ATOM 176 CA ASN A 11 8.308 -11.631 -2.188 1.00 12.52 C ATOM 177 C ASN A 11 6.857 -12.136 -2.297 1.00 32.10 C ATOM 178 O ASN A 11 6.001 -11.739 -1.498 1.00 72.21 O ATOM 179 CB ASN A 11 8.848 -11.824 -0.744 1.00 10.34 C ATOM 180 CG ASN A 11 8.784 -13.289 -0.273 1.00 75.33 C ATOM 181 OD1 ASN A 11 8.863 -14.226 -1.065 1.00 3.11 O ATOM 182 ND2 ASN A 11 8.638 -13.496 1.014 1.00 44.21 N ATOM 0 H ASN A 11 7.856 -9.588 -1.964 1.00 34.24 H new ATOM 0 HA ASN A 11 8.947 -12.211 -2.853 1.00 12.52 H new ATOM 0 HB2 ASN A 11 9.880 -11.477 -0.698 1.00 10.34 H new ATOM 0 HB3 ASN A 11 8.272 -11.202 -0.059 1.00 10.34 H new ATOM 0 HD21 ASN A 11 8.588 -14.449 1.375 1.00 44.21 H new ATOM 0 HD22 ASN A 11 8.575 -12.704 1.654 1.00 44.21 H new ATOM 189 N ASP A 12 6.611 -13.011 -3.298 1.00 1.33 N ATOM 190 CA ASP A 12 5.302 -13.662 -3.554 1.00 0.23 C ATOM 191 C ASP A 12 4.756 -14.339 -2.296 1.00 71.13 C ATOM 192 O ASP A 12 3.562 -14.219 -1.978 1.00 24.33 O ATOM 193 CB ASP A 12 5.462 -14.719 -4.680 1.00 53.13 C ATOM 194 CG ASP A 12 4.137 -15.385 -5.119 1.00 13.10 C ATOM 195 OD1 ASP A 12 3.719 -16.397 -4.506 1.00 41.03 O ATOM 196 OD2 ASP A 12 3.512 -14.907 -6.099 1.00 22.15 O ATOM 0 H ASP A 12 7.330 -13.291 -3.965 1.00 1.33 H new ATOM 0 HA ASP A 12 4.595 -12.891 -3.858 1.00 0.23 H new ATOM 0 HB2 ASP A 12 5.921 -14.243 -5.547 1.00 53.13 H new ATOM 0 HB3 ASP A 12 6.150 -15.494 -4.340 1.00 53.13 H new ATOM 201 N GLU A 13 5.665 -15.023 -1.574 1.00 0.04 N ATOM 202 CA GLU A 13 5.318 -15.794 -0.381 1.00 60.22 C ATOM 203 C GLU A 13 4.771 -14.887 0.732 1.00 33.24 C ATOM 204 O GLU A 13 3.808 -15.253 1.417 1.00 24.32 O ATOM 205 CB GLU A 13 6.537 -16.593 0.141 1.00 25.51 C ATOM 206 CG GLU A 13 7.054 -17.676 -0.820 1.00 60.04 C ATOM 207 CD GLU A 13 5.983 -18.719 -1.201 1.00 45.45 C ATOM 208 OE1 GLU A 13 5.547 -19.487 -0.318 1.00 64.22 O ATOM 209 OE2 GLU A 13 5.558 -18.768 -2.380 1.00 53.33 O ATOM 0 H GLU A 13 6.658 -15.052 -1.807 1.00 0.04 H new ATOM 0 HA GLU A 13 4.536 -16.497 -0.668 1.00 60.22 H new ATOM 0 HB2 GLU A 13 7.348 -15.896 0.351 1.00 25.51 H new ATOM 0 HB3 GLU A 13 6.268 -17.064 1.087 1.00 25.51 H new ATOM 0 HG2 GLU A 13 7.425 -17.199 -1.727 1.00 60.04 H new ATOM 0 HG3 GLU A 13 7.900 -18.186 -0.359 1.00 60.04 H new ATOM 216 N LEU A 14 5.378 -13.691 0.887 1.00 51.15 N ATOM 217 CA LEU A 14 4.933 -12.691 1.871 1.00 32.32 C ATOM 218 C LEU A 14 3.564 -12.102 1.460 1.00 33.20 C ATOM 219 O LEU A 14 2.723 -11.888 2.327 1.00 63.22 O ATOM 220 CB LEU A 14 5.984 -11.567 2.040 1.00 72.53 C ATOM 221 CG LEU A 14 5.602 -10.383 2.997 1.00 73.35 C ATOM 222 CD1 LEU A 14 5.191 -10.862 4.407 1.00 4.45 C ATOM 223 CD2 LEU A 14 6.738 -9.358 3.082 1.00 11.13 C ATOM 0 H LEU A 14 6.184 -13.396 0.336 1.00 51.15 H new ATOM 0 HA LEU A 14 4.821 -13.190 2.834 1.00 32.32 H new ATOM 0 HB2 LEU A 14 6.907 -12.016 2.406 1.00 72.53 H new ATOM 0 HB3 LEU A 14 6.200 -11.152 1.055 1.00 72.53 H new ATOM 0 HG LEU A 14 4.727 -9.901 2.561 1.00 73.35 H new ATOM 0 HD11 LEU A 14 4.938 -10.000 5.025 1.00 4.45 H new ATOM 0 HD12 LEU A 14 4.325 -11.520 4.330 1.00 4.45 H new ATOM 0 HD13 LEU A 14 6.019 -11.404 4.863 1.00 4.45 H new ATOM 0 HD21 LEU A 14 6.448 -8.548 3.751 1.00 11.13 H new ATOM 0 HD22 LEU A 14 7.636 -9.842 3.466 1.00 11.13 H new ATOM 0 HD23 LEU A 14 6.939 -8.954 2.090 1.00 11.13 H new ATOM 235 N ILE A 15 3.348 -11.890 0.128 1.00 33.14 N ATOM 236 CA ILE A 15 2.061 -11.348 -0.406 1.00 34.14 C ATOM 237 C ILE A 15 0.892 -12.256 0.021 1.00 50.50 C ATOM 238 O ILE A 15 -0.167 -11.770 0.413 1.00 3.33 O ATOM 239 CB ILE A 15 2.045 -11.202 -1.987 1.00 52.32 C ATOM 240 CG1 ILE A 15 3.294 -10.425 -2.489 1.00 34.21 C ATOM 241 CG2 ILE A 15 0.746 -10.506 -2.465 1.00 62.22 C ATOM 242 CD1 ILE A 15 3.350 -10.157 -3.983 1.00 22.45 C ATOM 0 H ILE A 15 4.044 -12.085 -0.591 1.00 33.14 H new ATOM 0 HA ILE A 15 1.954 -10.348 0.014 1.00 34.14 H new ATOM 0 HB ILE A 15 2.074 -12.205 -2.413 1.00 52.32 H new ATOM 0 HG12 ILE A 15 3.339 -9.470 -1.966 1.00 34.21 H new ATOM 0 HG13 ILE A 15 4.185 -10.985 -2.206 1.00 34.21 H new ATOM 0 HG21 ILE A 15 0.759 -10.418 -3.551 1.00 62.22 H new ATOM 0 HG22 ILE A 15 -0.117 -11.097 -2.159 1.00 62.22 H new ATOM 0 HG23 ILE A 15 0.681 -9.513 -2.021 1.00 62.22 H new ATOM 0 HD11 ILE A 15 4.262 -9.610 -4.221 1.00 22.45 H new ATOM 0 HD12 ILE A 15 3.344 -11.104 -4.523 1.00 22.45 H new ATOM 0 HD13 ILE A 15 2.484 -9.565 -4.279 1.00 22.45 H new ATOM 254 N LYS A 16 1.142 -13.579 -0.022 1.00 64.03 N ATOM 255 CA LYS A 16 0.167 -14.610 0.383 1.00 14.42 C ATOM 256 C LYS A 16 -0.198 -14.474 1.880 1.00 54.23 C ATOM 257 O LYS A 16 -1.380 -14.460 2.235 1.00 74.24 O ATOM 258 CB LYS A 16 0.737 -16.028 0.085 1.00 12.03 C ATOM 259 CG LYS A 16 1.026 -16.301 -1.409 1.00 5.42 C ATOM 260 CD LYS A 16 -0.239 -16.326 -2.312 1.00 53.14 C ATOM 261 CE LYS A 16 -1.013 -17.666 -2.282 1.00 44.55 C ATOM 262 NZ LYS A 16 -1.601 -17.985 -0.946 1.00 53.55 N ATOM 0 H LYS A 16 2.031 -13.964 -0.340 1.00 64.03 H new ATOM 0 HA LYS A 16 -0.745 -14.467 -0.196 1.00 14.42 H new ATOM 0 HB2 LYS A 16 1.659 -16.162 0.651 1.00 12.03 H new ATOM 0 HB3 LYS A 16 0.030 -16.774 0.448 1.00 12.03 H new ATOM 0 HG2 LYS A 16 1.708 -15.536 -1.781 1.00 5.42 H new ATOM 0 HG3 LYS A 16 1.541 -17.258 -1.498 1.00 5.42 H new ATOM 0 HD2 LYS A 16 -0.910 -15.525 -2.001 1.00 53.14 H new ATOM 0 HD3 LYS A 16 0.057 -16.113 -3.339 1.00 53.14 H new ATOM 0 HE2 LYS A 16 -1.812 -17.632 -3.023 1.00 44.55 H new ATOM 0 HE3 LYS A 16 -0.340 -18.472 -2.576 1.00 44.55 H new ATOM 0 HZ1 LYS A 16 -2.476 -18.532 -1.074 1.00 53.55 H new ATOM 0 HZ2 LYS A 16 -0.921 -18.543 -0.392 1.00 53.55 H new ATOM 0 HZ3 LYS A 16 -1.816 -17.101 -0.441 1.00 53.55 H new ATOM 276 N LYS A 17 0.836 -14.322 2.730 1.00 24.31 N ATOM 277 CA LYS A 17 0.681 -14.208 4.200 1.00 34.35 C ATOM 278 C LYS A 17 -0.052 -12.901 4.590 1.00 32.01 C ATOM 279 O LYS A 17 -0.863 -12.878 5.536 1.00 11.14 O ATOM 280 CB LYS A 17 2.074 -14.275 4.873 1.00 11.53 C ATOM 281 CG LYS A 17 2.870 -15.561 4.553 1.00 62.25 C ATOM 282 CD LYS A 17 4.232 -15.620 5.281 1.00 64.53 C ATOM 283 CE LYS A 17 4.078 -15.657 6.811 1.00 61.21 C ATOM 284 NZ LYS A 17 5.388 -15.679 7.516 1.00 21.21 N ATOM 0 H LYS A 17 1.806 -14.274 2.419 1.00 24.31 H new ATOM 0 HA LYS A 17 0.071 -15.040 4.551 1.00 34.35 H new ATOM 0 HB2 LYS A 17 2.659 -13.411 4.558 1.00 11.53 H new ATOM 0 HB3 LYS A 17 1.948 -14.198 5.953 1.00 11.53 H new ATOM 0 HG2 LYS A 17 2.275 -16.430 4.834 1.00 62.25 H new ATOM 0 HG3 LYS A 17 3.035 -15.622 3.477 1.00 62.25 H new ATOM 0 HD2 LYS A 17 4.779 -16.504 4.952 1.00 64.53 H new ATOM 0 HD3 LYS A 17 4.829 -14.753 5.000 1.00 64.53 H new ATOM 0 HE2 LYS A 17 3.509 -14.786 7.137 1.00 61.21 H new ATOM 0 HE3 LYS A 17 3.502 -16.538 7.094 1.00 61.21 H new ATOM 0 HZ1 LYS A 17 5.325 -16.303 8.346 1.00 21.21 H new ATOM 0 HZ2 LYS A 17 6.123 -16.033 6.871 1.00 21.21 H new ATOM 0 HZ3 LYS A 17 5.632 -14.716 7.825 1.00 21.21 H new ATOM 298 N ILE A 18 0.244 -11.829 3.824 1.00 72.33 N ATOM 299 CA ILE A 18 -0.413 -10.522 3.966 1.00 74.31 C ATOM 300 C ILE A 18 -1.906 -10.679 3.658 1.00 72.11 C ATOM 301 O ILE A 18 -2.724 -10.330 4.489 1.00 53.52 O ATOM 302 CB ILE A 18 0.259 -9.433 3.031 1.00 51.44 C ATOM 303 CG1 ILE A 18 1.721 -9.148 3.509 1.00 22.11 C ATOM 304 CG2 ILE A 18 -0.569 -8.121 2.964 1.00 12.34 C ATOM 305 CD1 ILE A 18 2.523 -8.224 2.620 1.00 62.41 C ATOM 0 H ILE A 18 0.950 -11.851 3.088 1.00 72.33 H new ATOM 0 HA ILE A 18 -0.294 -10.170 4.991 1.00 74.31 H new ATOM 0 HB ILE A 18 0.286 -9.837 2.019 1.00 51.44 H new ATOM 0 HG12 ILE A 18 1.681 -8.718 4.510 1.00 22.11 H new ATOM 0 HG13 ILE A 18 2.251 -10.097 3.590 1.00 22.11 H new ATOM 0 HG21 ILE A 18 -0.067 -7.407 2.311 1.00 12.34 H new ATOM 0 HG22 ILE A 18 -1.562 -8.337 2.570 1.00 12.34 H new ATOM 0 HG23 ILE A 18 -0.660 -7.697 3.964 1.00 12.34 H new ATOM 0 HD11 ILE A 18 3.521 -8.091 3.039 1.00 62.41 H new ATOM 0 HD12 ILE A 18 2.603 -8.657 1.623 1.00 62.41 H new ATOM 0 HD13 ILE A 18 2.025 -7.257 2.557 1.00 62.41 H new ATOM 317 N LYS A 19 -2.230 -11.302 2.496 1.00 14.11 N ATOM 318 CA LYS A 19 -3.629 -11.524 2.051 1.00 44.25 C ATOM 319 C LYS A 19 -4.437 -12.338 3.076 1.00 22.43 C ATOM 320 O LYS A 19 -5.635 -12.102 3.235 1.00 3.11 O ATOM 321 CB LYS A 19 -3.684 -12.217 0.663 1.00 21.03 C ATOM 322 CG LYS A 19 -3.162 -11.352 -0.496 1.00 54.32 C ATOM 323 CD LYS A 19 -3.316 -12.045 -1.869 1.00 31.23 C ATOM 324 CE LYS A 19 -2.817 -11.168 -3.026 1.00 53.33 C ATOM 325 NZ LYS A 19 -3.236 -11.671 -4.363 1.00 23.53 N ATOM 0 H LYS A 19 -1.533 -11.663 1.845 1.00 14.11 H new ATOM 0 HA LYS A 19 -4.085 -10.538 1.965 1.00 44.25 H new ATOM 0 HB2 LYS A 19 -3.101 -13.137 0.706 1.00 21.03 H new ATOM 0 HB3 LYS A 19 -4.715 -12.502 0.453 1.00 21.03 H new ATOM 0 HG2 LYS A 19 -3.700 -10.404 -0.509 1.00 54.32 H new ATOM 0 HG3 LYS A 19 -2.111 -11.119 -0.326 1.00 54.32 H new ATOM 0 HD2 LYS A 19 -2.762 -12.984 -1.863 1.00 31.23 H new ATOM 0 HD3 LYS A 19 -4.365 -12.294 -2.032 1.00 31.23 H new ATOM 0 HE2 LYS A 19 -3.192 -10.153 -2.892 1.00 53.33 H new ATOM 0 HE3 LYS A 19 -1.729 -11.113 -2.990 1.00 53.33 H new ATOM 0 HZ1 LYS A 19 -2.423 -12.113 -4.838 1.00 23.53 H new ATOM 0 HZ2 LYS A 19 -3.994 -12.374 -4.248 1.00 23.53 H new ATOM 0 HZ3 LYS A 19 -3.584 -10.878 -4.939 1.00 23.53 H new ATOM 339 N LYS A 20 -3.759 -13.275 3.779 1.00 22.43 N ATOM 340 CA LYS A 20 -4.372 -14.044 4.879 1.00 11.30 C ATOM 341 C LYS A 20 -4.798 -13.099 6.004 1.00 12.02 C ATOM 342 O LYS A 20 -5.938 -13.165 6.466 1.00 10.30 O ATOM 343 CB LYS A 20 -3.406 -15.131 5.425 1.00 64.34 C ATOM 344 CG LYS A 20 -3.028 -16.265 4.438 1.00 52.31 C ATOM 345 CD LYS A 20 -4.229 -17.145 3.957 1.00 44.41 C ATOM 346 CE LYS A 20 -4.933 -16.603 2.701 1.00 71.02 C ATOM 347 NZ LYS A 20 -6.136 -17.394 2.332 1.00 23.12 N ATOM 0 H LYS A 20 -2.784 -13.515 3.600 1.00 22.43 H new ATOM 0 HA LYS A 20 -5.251 -14.553 4.483 1.00 11.30 H new ATOM 0 HB2 LYS A 20 -2.489 -14.642 5.753 1.00 64.34 H new ATOM 0 HB3 LYS A 20 -3.860 -15.581 6.308 1.00 64.34 H new ATOM 0 HG2 LYS A 20 -2.548 -15.823 3.565 1.00 52.31 H new ATOM 0 HG3 LYS A 20 -2.291 -16.911 4.914 1.00 52.31 H new ATOM 0 HD2 LYS A 20 -3.869 -18.154 3.754 1.00 44.41 H new ATOM 0 HD3 LYS A 20 -4.957 -17.223 4.765 1.00 44.41 H new ATOM 0 HE2 LYS A 20 -5.223 -15.566 2.871 1.00 71.02 H new ATOM 0 HE3 LYS A 20 -4.232 -16.605 1.867 1.00 71.02 H new ATOM 0 HZ1 LYS A 20 -6.908 -16.749 2.069 1.00 23.12 H new ATOM 0 HZ2 LYS A 20 -5.911 -18.012 1.526 1.00 23.12 H new ATOM 0 HZ3 LYS A 20 -6.431 -17.975 3.142 1.00 23.12 H new ATOM 361 N GLU A 21 -3.875 -12.194 6.398 1.00 44.11 N ATOM 362 CA GLU A 21 -4.169 -11.151 7.398 1.00 22.02 C ATOM 363 C GLU A 21 -5.307 -10.222 6.943 1.00 51.13 C ATOM 364 O GLU A 21 -6.246 -10.019 7.695 1.00 64.43 O ATOM 365 CB GLU A 21 -2.897 -10.335 7.777 1.00 1.24 C ATOM 366 CG GLU A 21 -1.973 -11.052 8.784 1.00 31.12 C ATOM 367 CD GLU A 21 -2.738 -11.533 10.038 1.00 61.40 C ATOM 368 OE1 GLU A 21 -3.288 -10.684 10.773 1.00 50.43 O ATOM 369 OE2 GLU A 21 -2.827 -12.757 10.272 1.00 75.43 O ATOM 0 H GLU A 21 -2.921 -12.167 6.037 1.00 44.11 H new ATOM 0 HA GLU A 21 -4.508 -11.668 8.296 1.00 22.02 H new ATOM 0 HB2 GLU A 21 -2.332 -10.119 6.870 1.00 1.24 H new ATOM 0 HB3 GLU A 21 -3.203 -9.377 8.198 1.00 1.24 H new ATOM 0 HG2 GLU A 21 -1.502 -11.906 8.298 1.00 31.12 H new ATOM 0 HG3 GLU A 21 -1.173 -10.376 9.086 1.00 31.12 H new ATOM 376 N VAL A 22 -5.246 -9.744 5.688 1.00 2.21 N ATOM 377 CA VAL A 22 -6.228 -8.786 5.124 1.00 70.01 C ATOM 378 C VAL A 22 -7.654 -9.376 5.171 1.00 63.14 C ATOM 379 O VAL A 22 -8.620 -8.666 5.460 1.00 3.23 O ATOM 380 CB VAL A 22 -5.851 -8.400 3.647 1.00 13.02 C ATOM 381 CG1 VAL A 22 -6.803 -7.332 3.065 1.00 20.23 C ATOM 382 CG2 VAL A 22 -4.393 -7.915 3.569 1.00 3.44 C ATOM 0 H VAL A 22 -4.514 -10.009 5.029 1.00 2.21 H new ATOM 0 HA VAL A 22 -6.203 -7.883 5.734 1.00 70.01 H new ATOM 0 HB VAL A 22 -5.959 -9.300 3.042 1.00 13.02 H new ATOM 0 HG11 VAL A 22 -6.505 -7.096 2.043 1.00 20.23 H new ATOM 0 HG12 VAL A 22 -7.823 -7.715 3.066 1.00 20.23 H new ATOM 0 HG13 VAL A 22 -6.754 -6.430 3.675 1.00 20.23 H new ATOM 0 HG21 VAL A 22 -4.151 -7.653 2.539 1.00 3.44 H new ATOM 0 HG22 VAL A 22 -4.266 -7.039 4.206 1.00 3.44 H new ATOM 0 HG23 VAL A 22 -3.727 -8.709 3.907 1.00 3.44 H new ATOM 392 N GLU A 23 -7.736 -10.701 4.939 1.00 64.23 N ATOM 393 CA GLU A 23 -8.984 -11.474 5.062 1.00 72.35 C ATOM 394 C GLU A 23 -9.458 -11.537 6.532 1.00 44.11 C ATOM 395 O GLU A 23 -10.644 -11.319 6.809 1.00 10.51 O ATOM 396 CB GLU A 23 -8.802 -12.900 4.479 1.00 3.51 C ATOM 397 CG GLU A 23 -8.724 -12.955 2.944 1.00 33.23 C ATOM 398 CD GLU A 23 -8.574 -14.387 2.413 1.00 23.54 C ATOM 399 OE1 GLU A 23 -9.523 -15.187 2.581 1.00 71.03 O ATOM 400 OE2 GLU A 23 -7.520 -14.727 1.831 1.00 32.23 O ATOM 0 H GLU A 23 -6.934 -11.266 4.660 1.00 64.23 H new ATOM 0 HA GLU A 23 -9.755 -10.964 4.485 1.00 72.35 H new ATOM 0 HB2 GLU A 23 -7.892 -13.335 4.892 1.00 3.51 H new ATOM 0 HB3 GLU A 23 -9.632 -13.523 4.811 1.00 3.51 H new ATOM 0 HG2 GLU A 23 -9.623 -12.507 2.522 1.00 33.23 H new ATOM 0 HG3 GLU A 23 -7.880 -12.355 2.605 1.00 33.23 H new ATOM 407 N ASN A 24 -8.511 -11.806 7.464 1.00 34.55 N ATOM 408 CA ASN A 24 -8.781 -11.853 8.931 1.00 3.20 C ATOM 409 C ASN A 24 -9.276 -10.486 9.445 1.00 4.30 C ATOM 410 O ASN A 24 -10.056 -10.405 10.404 1.00 72.32 O ATOM 411 CB ASN A 24 -7.500 -12.253 9.730 1.00 51.10 C ATOM 412 CG ASN A 24 -6.899 -13.599 9.327 1.00 23.20 C ATOM 413 OD1 ASN A 24 -7.603 -14.513 8.895 1.00 14.22 O ATOM 414 ND2 ASN A 24 -5.588 -13.735 9.464 1.00 60.22 N ATOM 0 H ASN A 24 -7.538 -11.997 7.225 1.00 34.55 H new ATOM 0 HA ASN A 24 -9.554 -12.605 9.088 1.00 3.20 H new ATOM 0 HB2 ASN A 24 -6.746 -11.477 9.596 1.00 51.10 H new ATOM 0 HB3 ASN A 24 -7.743 -12.281 10.792 1.00 51.10 H new ATOM 0 HD21 ASN A 24 -5.137 -14.614 9.209 1.00 60.22 H new ATOM 0 HD22 ASN A 24 -5.030 -12.961 9.824 1.00 60.22 H new ATOM 421 N GLN A 25 -8.801 -9.416 8.786 1.00 73.15 N ATOM 422 CA GLN A 25 -9.140 -8.029 9.125 1.00 11.00 C ATOM 423 C GLN A 25 -10.475 -7.620 8.455 1.00 3.34 C ATOM 424 O GLN A 25 -11.168 -6.731 8.953 1.00 62.41 O ATOM 425 CB GLN A 25 -7.984 -7.076 8.704 1.00 23.04 C ATOM 426 CG GLN A 25 -6.583 -7.447 9.267 1.00 0.14 C ATOM 427 CD GLN A 25 -6.485 -7.531 10.797 1.00 11.11 C ATOM 428 OE1 GLN A 25 -5.583 -8.374 11.291 1.00 31.45 O flip ATOM 429 NE2 GLN A 25 -7.196 -6.837 11.529 1.00 4.44 N flip ATOM 0 H GLN A 25 -8.163 -9.494 7.994 1.00 73.15 H new ATOM 0 HA GLN A 25 -9.269 -7.950 10.204 1.00 11.00 H new ATOM 0 HB2 GLN A 25 -7.928 -7.058 7.616 1.00 23.04 H new ATOM 0 HB3 GLN A 25 -8.232 -6.065 9.027 1.00 23.04 H new ATOM 0 HG2 GLN A 25 -6.286 -8.408 8.848 1.00 0.14 H new ATOM 0 HG3 GLN A 25 -5.862 -6.709 8.914 1.00 0.14 H new ATOM 0 HE21 GLN A 25 -7.879 -6.199 11.121 1.00 4.44 H new ATOM 0 HE22 GLN A 25 -7.100 -6.901 12.542 1.00 4.44 H new ATOM 438 N GLY A 26 -10.823 -8.286 7.329 1.00 41.12 N ATOM 439 CA GLY A 26 -12.106 -8.071 6.628 1.00 3.34 C ATOM 440 C GLY A 26 -12.033 -7.014 5.524 1.00 54.33 C ATOM 441 O GLY A 26 -13.037 -6.377 5.200 1.00 55.34 O ATOM 0 H GLY A 26 -10.225 -8.983 6.885 1.00 41.12 H new ATOM 0 HA2 GLY A 26 -12.436 -9.015 6.194 1.00 3.34 H new ATOM 0 HA3 GLY A 26 -12.862 -7.773 7.355 1.00 3.34 H new ATOM 445 N TYR A 27 -10.832 -6.822 4.955 1.00 25.22 N ATOM 446 CA TYR A 27 -10.575 -5.842 3.876 1.00 22.45 C ATOM 447 C TYR A 27 -10.390 -6.571 2.535 1.00 13.02 C ATOM 448 O TYR A 27 -10.077 -7.770 2.499 1.00 24.23 O ATOM 449 CB TYR A 27 -9.312 -4.986 4.200 1.00 23.04 C ATOM 450 CG TYR A 27 -9.438 -4.030 5.402 1.00 72.22 C ATOM 451 CD1 TYR A 27 -9.844 -4.487 6.660 1.00 65.24 C ATOM 452 CD2 TYR A 27 -9.146 -2.663 5.283 1.00 33.44 C ATOM 453 CE1 TYR A 27 -9.953 -3.637 7.742 1.00 51.02 C ATOM 454 CE2 TYR A 27 -9.249 -1.813 6.367 1.00 40.35 C ATOM 455 CZ TYR A 27 -9.659 -2.300 7.592 1.00 21.21 C ATOM 456 OH TYR A 27 -9.762 -1.451 8.676 1.00 63.54 O ATOM 0 H TYR A 27 -10.001 -7.346 5.231 1.00 25.22 H new ATOM 0 HA TYR A 27 -11.434 -5.175 3.803 1.00 22.45 H new ATOM 0 HB2 TYR A 27 -8.476 -5.661 4.383 1.00 23.04 H new ATOM 0 HB3 TYR A 27 -9.059 -4.398 3.318 1.00 23.04 H new ATOM 0 HD1 TYR A 27 -10.079 -5.533 6.788 1.00 65.24 H new ATOM 0 HD2 TYR A 27 -8.835 -2.268 4.327 1.00 33.44 H new ATOM 0 HE1 TYR A 27 -10.267 -4.019 8.702 1.00 51.02 H new ATOM 0 HE2 TYR A 27 -9.008 -0.766 6.256 1.00 40.35 H new ATOM 0 HH TYR A 27 -8.939 -0.925 8.759 1.00 63.54 H new ATOM 466 N GLN A 28 -10.585 -5.825 1.439 1.00 21.24 N ATOM 467 CA GLN A 28 -10.497 -6.350 0.068 1.00 61.33 C ATOM 468 C GLN A 28 -9.086 -6.098 -0.491 1.00 30.25 C ATOM 469 O GLN A 28 -8.596 -4.970 -0.427 1.00 15.21 O ATOM 470 CB GLN A 28 -11.560 -5.673 -0.848 1.00 14.32 C ATOM 471 CG GLN A 28 -13.047 -5.992 -0.525 1.00 45.31 C ATOM 472 CD GLN A 28 -13.530 -5.486 0.843 1.00 43.13 C ATOM 473 OE1 GLN A 28 -13.511 -6.207 1.842 1.00 51.20 O ATOM 474 NE2 GLN A 28 -13.926 -4.236 0.907 1.00 24.00 N ATOM 0 H GLN A 28 -10.810 -4.831 1.479 1.00 21.24 H new ATOM 0 HA GLN A 28 -10.693 -7.422 0.089 1.00 61.33 H new ATOM 0 HB2 GLN A 28 -11.422 -4.593 -0.793 1.00 14.32 H new ATOM 0 HB3 GLN A 28 -11.362 -5.968 -1.878 1.00 14.32 H new ATOM 0 HG2 GLN A 28 -13.675 -5.555 -1.301 1.00 45.31 H new ATOM 0 HG3 GLN A 28 -13.191 -7.072 -0.569 1.00 45.31 H new ATOM 0 HE21 GLN A 28 -13.933 -3.659 0.066 1.00 24.00 H new ATOM 0 HE22 GLN A 28 -14.227 -3.841 1.798 1.00 24.00 H new ATOM 483 N VAL A 29 -8.441 -7.154 -1.024 1.00 22.44 N ATOM 484 CA VAL A 29 -7.127 -7.047 -1.690 1.00 3.03 C ATOM 485 C VAL A 29 -7.328 -6.697 -3.176 1.00 62.33 C ATOM 486 O VAL A 29 -8.064 -7.394 -3.888 1.00 3.44 O ATOM 487 CB VAL A 29 -6.291 -8.384 -1.598 1.00 13.10 C ATOM 488 CG1 VAL A 29 -4.861 -8.180 -2.158 1.00 22.14 C ATOM 489 CG2 VAL A 29 -6.256 -8.941 -0.157 1.00 4.22 C ATOM 0 H VAL A 29 -8.815 -8.103 -1.005 1.00 22.44 H new ATOM 0 HA VAL A 29 -6.571 -6.264 -1.174 1.00 3.03 H new ATOM 0 HB VAL A 29 -6.793 -9.128 -2.216 1.00 13.10 H new ATOM 0 HG11 VAL A 29 -4.305 -9.114 -2.084 1.00 22.14 H new ATOM 0 HG12 VAL A 29 -4.920 -7.874 -3.203 1.00 22.14 H new ATOM 0 HG13 VAL A 29 -4.351 -7.408 -1.582 1.00 22.14 H new ATOM 0 HG21 VAL A 29 -5.671 -9.861 -0.137 1.00 4.22 H new ATOM 0 HG22 VAL A 29 -5.800 -8.206 0.506 1.00 4.22 H new ATOM 0 HG23 VAL A 29 -7.272 -9.150 0.177 1.00 4.22 H new ATOM 499 N ARG A 30 -6.701 -5.602 -3.629 1.00 1.23 N ATOM 500 CA ARG A 30 -6.623 -5.232 -5.050 1.00 12.15 C ATOM 501 C ARG A 30 -5.140 -5.071 -5.428 1.00 5.21 C ATOM 502 O ARG A 30 -4.467 -4.154 -4.953 1.00 42.33 O ATOM 503 CB ARG A 30 -7.427 -3.928 -5.338 1.00 0.11 C ATOM 504 CG ARG A 30 -8.968 -4.065 -5.228 1.00 54.12 C ATOM 505 CD ARG A 30 -9.571 -5.089 -6.213 1.00 44.34 C ATOM 506 NE ARG A 30 -11.044 -5.141 -6.134 1.00 14.44 N ATOM 507 CZ ARG A 30 -11.842 -5.864 -6.944 1.00 52.11 C ATOM 508 NH1 ARG A 30 -11.335 -6.631 -7.911 1.00 11.42 N ATOM 509 NH2 ARG A 30 -13.154 -5.829 -6.766 1.00 72.41 N ATOM 0 H ARG A 30 -6.228 -4.941 -3.012 1.00 1.23 H new ATOM 0 HA ARG A 30 -7.072 -6.016 -5.660 1.00 12.15 H new ATOM 0 HB2 ARG A 30 -7.096 -3.155 -4.644 1.00 0.11 H new ATOM 0 HB3 ARG A 30 -7.180 -3.582 -6.342 1.00 0.11 H new ATOM 0 HG2 ARG A 30 -9.226 -4.357 -4.210 1.00 54.12 H new ATOM 0 HG3 ARG A 30 -9.424 -3.091 -5.405 1.00 54.12 H new ATOM 0 HD2 ARG A 30 -9.273 -4.832 -7.229 1.00 44.34 H new ATOM 0 HD3 ARG A 30 -9.163 -6.077 -6.002 1.00 44.34 H new ATOM 0 HE ARG A 30 -11.494 -4.585 -5.407 1.00 14.44 H new ATOM 0 HH11 ARG A 30 -10.325 -6.678 -8.048 1.00 11.42 H new ATOM 0 HH12 ARG A 30 -11.957 -7.170 -8.513 1.00 11.42 H new ATOM 0 HH21 ARG A 30 -13.552 -5.258 -6.021 1.00 72.41 H new ATOM 0 HH22 ARG A 30 -13.766 -6.373 -7.374 1.00 72.41 H new ATOM 523 N ASP A 31 -4.650 -5.995 -6.267 1.00 31.02 N ATOM 524 CA ASP A 31 -3.240 -6.067 -6.693 1.00 25.14 C ATOM 525 C ASP A 31 -2.977 -5.168 -7.916 1.00 51.33 C ATOM 526 O ASP A 31 -3.851 -5.001 -8.776 1.00 31.22 O ATOM 527 CB ASP A 31 -2.863 -7.529 -7.031 1.00 71.45 C ATOM 528 CG ASP A 31 -3.072 -8.483 -5.842 1.00 51.02 C ATOM 529 OD1 ASP A 31 -2.170 -8.580 -4.983 1.00 53.32 O ATOM 530 OD2 ASP A 31 -4.131 -9.164 -5.782 1.00 41.41 O ATOM 0 H ASP A 31 -5.230 -6.727 -6.677 1.00 31.02 H new ATOM 0 HA ASP A 31 -2.623 -5.711 -5.868 1.00 25.14 H new ATOM 0 HB2 ASP A 31 -3.463 -7.869 -7.875 1.00 71.45 H new ATOM 0 HB3 ASP A 31 -1.820 -7.568 -7.345 1.00 71.45 H new ATOM 535 N VAL A 32 -1.755 -4.612 -7.976 1.00 21.22 N ATOM 536 CA VAL A 32 -1.282 -3.761 -9.083 1.00 61.04 C ATOM 537 C VAL A 32 0.121 -4.235 -9.510 1.00 34.52 C ATOM 538 O VAL A 32 1.048 -4.250 -8.699 1.00 54.00 O ATOM 539 CB VAL A 32 -1.227 -2.230 -8.679 1.00 0.44 C ATOM 540 CG1 VAL A 32 -0.629 -1.363 -9.816 1.00 2.53 C ATOM 541 CG2 VAL A 32 -2.621 -1.702 -8.259 1.00 2.13 C ATOM 0 H VAL A 32 -1.056 -4.743 -7.245 1.00 21.22 H new ATOM 0 HA VAL A 32 -1.988 -3.853 -9.908 1.00 61.04 H new ATOM 0 HB VAL A 32 -0.566 -2.151 -7.816 1.00 0.44 H new ATOM 0 HG11 VAL A 32 -0.607 -0.319 -9.504 1.00 2.53 H new ATOM 0 HG12 VAL A 32 0.385 -1.698 -10.034 1.00 2.53 H new ATOM 0 HG13 VAL A 32 -1.244 -1.461 -10.710 1.00 2.53 H new ATOM 0 HG21 VAL A 32 -2.545 -0.649 -7.989 1.00 2.13 H new ATOM 0 HG22 VAL A 32 -3.318 -1.814 -9.090 1.00 2.13 H new ATOM 0 HG23 VAL A 32 -2.983 -2.271 -7.403 1.00 2.13 H new ATOM 551 N ASN A 33 0.267 -4.617 -10.787 1.00 21.05 N ATOM 552 CA ASN A 33 1.574 -4.968 -11.391 1.00 42.34 C ATOM 553 C ASN A 33 1.744 -4.261 -12.747 1.00 71.10 C ATOM 554 O ASN A 33 2.727 -4.496 -13.459 1.00 72.21 O ATOM 555 CB ASN A 33 1.719 -6.510 -11.545 1.00 1.52 C ATOM 556 CG ASN A 33 0.598 -7.161 -12.363 1.00 34.22 C ATOM 557 OD1 ASN A 33 0.655 -7.225 -13.593 1.00 64.55 O ATOM 558 ND2 ASN A 33 -0.427 -7.661 -11.689 1.00 13.54 N ATOM 0 H ASN A 33 -0.516 -4.693 -11.437 1.00 21.05 H new ATOM 0 HA ASN A 33 2.365 -4.625 -10.724 1.00 42.34 H new ATOM 0 HB2 ASN A 33 2.676 -6.729 -12.019 1.00 1.52 H new ATOM 0 HB3 ASN A 33 1.743 -6.964 -10.554 1.00 1.52 H new ATOM 0 HD21 ASN A 33 -1.194 -8.112 -12.188 1.00 13.54 H new ATOM 0 HD22 ASN A 33 -0.449 -7.595 -10.671 1.00 13.54 H new ATOM 565 N ASP A 34 0.805 -3.353 -13.074 1.00 43.14 N ATOM 566 CA ASP A 34 0.801 -2.631 -14.358 1.00 20.53 C ATOM 567 C ASP A 34 0.282 -1.200 -14.150 1.00 33.53 C ATOM 568 O ASP A 34 -0.556 -0.953 -13.267 1.00 23.44 O ATOM 569 CB ASP A 34 -0.058 -3.392 -15.401 1.00 51.41 C ATOM 570 CG ASP A 34 0.204 -2.948 -16.859 1.00 42.13 C ATOM 571 OD1 ASP A 34 1.103 -3.520 -17.516 1.00 2.15 O ATOM 572 OD2 ASP A 34 -0.473 -2.023 -17.348 1.00 21.45 O ATOM 0 H ASP A 34 0.032 -3.101 -12.458 1.00 43.14 H new ATOM 0 HA ASP A 34 1.820 -2.574 -14.741 1.00 20.53 H new ATOM 0 HB2 ASP A 34 0.141 -4.460 -15.314 1.00 51.41 H new ATOM 0 HB3 ASP A 34 -1.113 -3.244 -15.169 1.00 51.41 H new ATOM 577 N SER A 35 0.795 -0.265 -14.967 1.00 14.15 N ATOM 578 CA SER A 35 0.497 1.172 -14.854 1.00 75.54 C ATOM 579 C SER A 35 -0.924 1.531 -15.344 1.00 24.21 C ATOM 580 O SER A 35 -1.444 2.607 -15.026 1.00 51.11 O ATOM 581 CB SER A 35 1.583 1.978 -15.600 1.00 30.23 C ATOM 582 OG SER A 35 1.794 1.482 -16.917 1.00 31.15 O ATOM 0 H SER A 35 1.433 -0.488 -15.731 1.00 14.15 H new ATOM 0 HA SER A 35 0.514 1.440 -13.798 1.00 75.54 H new ATOM 0 HB2 SER A 35 1.289 3.027 -15.649 1.00 30.23 H new ATOM 0 HB3 SER A 35 2.517 1.934 -15.041 1.00 30.23 H new ATOM 0 HG SER A 35 2.486 2.016 -17.361 1.00 31.15 H new ATOM 588 N ASP A 36 -1.547 0.626 -16.114 1.00 34.33 N ATOM 589 CA ASP A 36 -2.958 0.754 -16.540 1.00 51.51 C ATOM 590 C ASP A 36 -3.886 0.371 -15.380 1.00 22.41 C ATOM 591 O ASP A 36 -4.870 1.061 -15.110 1.00 1.14 O ATOM 592 CB ASP A 36 -3.227 -0.135 -17.794 1.00 34.11 C ATOM 593 CG ASP A 36 -4.725 -0.284 -18.142 1.00 63.24 C ATOM 594 OD1 ASP A 36 -5.337 0.698 -18.622 1.00 51.25 O ATOM 595 OD2 ASP A 36 -5.301 -1.384 -17.939 1.00 22.53 O ATOM 0 H ASP A 36 -1.091 -0.217 -16.462 1.00 34.33 H new ATOM 0 HA ASP A 36 -3.160 1.789 -16.815 1.00 51.51 H new ATOM 0 HB2 ASP A 36 -2.705 0.293 -18.650 1.00 34.11 H new ATOM 0 HB3 ASP A 36 -2.803 -1.125 -17.624 1.00 34.11 H new ATOM 600 N GLU A 37 -3.518 -0.703 -14.667 1.00 52.23 N ATOM 601 CA GLU A 37 -4.330 -1.280 -13.578 1.00 63.11 C ATOM 602 C GLU A 37 -4.594 -0.269 -12.451 1.00 62.34 C ATOM 603 O GLU A 37 -5.730 -0.140 -11.988 1.00 62.34 O ATOM 604 CB GLU A 37 -3.618 -2.532 -13.004 1.00 14.15 C ATOM 605 CG GLU A 37 -3.467 -3.692 -14.005 1.00 40.24 C ATOM 606 CD GLU A 37 -4.814 -4.307 -14.430 1.00 72.33 C ATOM 607 OE1 GLU A 37 -5.413 -3.850 -15.428 1.00 43.01 O ATOM 608 OE2 GLU A 37 -5.277 -5.264 -13.767 1.00 42.03 O ATOM 0 H GLU A 37 -2.643 -1.202 -14.828 1.00 52.23 H new ATOM 0 HA GLU A 37 -5.296 -1.558 -14.000 1.00 63.11 H new ATOM 0 HB2 GLU A 37 -2.629 -2.242 -12.650 1.00 14.15 H new ATOM 0 HB3 GLU A 37 -4.175 -2.886 -12.137 1.00 14.15 H new ATOM 0 HG2 GLU A 37 -2.943 -3.333 -14.891 1.00 40.24 H new ATOM 0 HG3 GLU A 37 -2.845 -4.469 -13.560 1.00 40.24 H new ATOM 615 N LEU A 38 -3.537 0.477 -12.071 1.00 23.44 N ATOM 616 CA LEU A 38 -3.545 1.315 -10.864 1.00 51.54 C ATOM 617 C LEU A 38 -4.626 2.417 -10.928 1.00 62.13 C ATOM 618 O LEU A 38 -5.340 2.631 -9.949 1.00 75.31 O ATOM 619 CB LEU A 38 -2.112 1.880 -10.599 1.00 25.42 C ATOM 620 CG LEU A 38 -1.555 3.032 -11.521 1.00 50.01 C ATOM 621 CD1 LEU A 38 -1.984 4.440 -11.034 1.00 71.32 C ATOM 622 CD2 LEU A 38 -0.022 2.962 -11.643 1.00 63.51 C ATOM 0 H LEU A 38 -2.661 0.513 -12.592 1.00 23.44 H new ATOM 0 HA LEU A 38 -3.819 0.694 -10.011 1.00 51.54 H new ATOM 0 HB2 LEU A 38 -2.087 2.242 -9.571 1.00 25.42 H new ATOM 0 HB3 LEU A 38 -1.414 1.045 -10.660 1.00 25.42 H new ATOM 0 HG LEU A 38 -1.995 2.873 -12.506 1.00 50.01 H new ATOM 0 HD11 LEU A 38 -1.574 5.197 -11.703 1.00 71.32 H new ATOM 0 HD12 LEU A 38 -3.072 4.508 -11.031 1.00 71.32 H new ATOM 0 HD13 LEU A 38 -1.608 4.606 -10.025 1.00 71.32 H new ATOM 0 HD21 LEU A 38 0.329 3.770 -12.285 1.00 63.51 H new ATOM 0 HD22 LEU A 38 0.427 3.063 -10.655 1.00 63.51 H new ATOM 0 HD23 LEU A 38 0.265 2.004 -12.076 1.00 63.51 H new ATOM 634 N LYS A 39 -4.770 3.060 -12.110 1.00 35.23 N ATOM 635 CA LYS A 39 -5.704 4.194 -12.294 1.00 65.11 C ATOM 636 C LYS A 39 -7.164 3.726 -12.125 1.00 75.23 C ATOM 637 O LYS A 39 -7.992 4.437 -11.560 1.00 51.32 O ATOM 638 CB LYS A 39 -5.488 4.868 -13.683 1.00 62.11 C ATOM 639 CG LYS A 39 -5.934 4.026 -14.899 1.00 40.25 C ATOM 640 CD LYS A 39 -5.760 4.739 -16.257 1.00 1.40 C ATOM 641 CE LYS A 39 -4.298 5.047 -16.612 1.00 30.25 C ATOM 642 NZ LYS A 39 -4.175 5.688 -17.956 1.00 30.12 N ATOM 0 H LYS A 39 -4.250 2.812 -12.952 1.00 35.23 H new ATOM 0 HA LYS A 39 -5.497 4.939 -11.526 1.00 65.11 H new ATOM 0 HB2 LYS A 39 -6.029 5.814 -13.698 1.00 62.11 H new ATOM 0 HB3 LYS A 39 -4.430 5.105 -13.794 1.00 62.11 H new ATOM 0 HG2 LYS A 39 -5.364 3.097 -14.913 1.00 40.25 H new ATOM 0 HG3 LYS A 39 -6.982 3.755 -14.775 1.00 40.25 H new ATOM 0 HD2 LYS A 39 -6.191 4.117 -17.041 1.00 1.40 H new ATOM 0 HD3 LYS A 39 -6.325 5.671 -16.243 1.00 1.40 H new ATOM 0 HE2 LYS A 39 -3.871 5.705 -15.855 1.00 30.25 H new ATOM 0 HE3 LYS A 39 -3.718 4.124 -16.595 1.00 30.25 H new ATOM 0 HZ1 LYS A 39 -3.173 5.880 -18.159 1.00 30.12 H new ATOM 0 HZ2 LYS A 39 -4.559 5.049 -18.682 1.00 30.12 H new ATOM 0 HZ3 LYS A 39 -4.707 6.581 -17.965 1.00 30.12 H new ATOM 656 N LYS A 40 -7.421 2.491 -12.582 1.00 43.15 N ATOM 657 CA LYS A 40 -8.741 1.854 -12.561 1.00 44.14 C ATOM 658 C LYS A 40 -9.150 1.490 -11.120 1.00 20.51 C ATOM 659 O LYS A 40 -10.323 1.636 -10.754 1.00 44.24 O ATOM 660 CB LYS A 40 -8.688 0.610 -13.490 1.00 24.33 C ATOM 661 CG LYS A 40 -8.432 0.958 -14.988 1.00 42.01 C ATOM 662 CD LYS A 40 -7.734 -0.172 -15.782 1.00 13.01 C ATOM 663 CE LYS A 40 -8.504 -1.498 -15.818 1.00 45.22 C ATOM 664 NZ LYS A 40 -7.779 -2.522 -16.623 1.00 51.04 N ATOM 0 H LYS A 40 -6.698 1.896 -12.985 1.00 43.15 H new ATOM 0 HA LYS A 40 -9.504 2.540 -12.929 1.00 44.14 H new ATOM 0 HB2 LYS A 40 -7.901 -0.059 -13.142 1.00 24.33 H new ATOM 0 HB3 LYS A 40 -9.629 0.066 -13.408 1.00 24.33 H new ATOM 0 HG2 LYS A 40 -9.384 1.190 -15.465 1.00 42.01 H new ATOM 0 HG3 LYS A 40 -7.821 1.859 -15.043 1.00 42.01 H new ATOM 0 HD2 LYS A 40 -7.573 0.167 -16.805 1.00 13.01 H new ATOM 0 HD3 LYS A 40 -6.751 -0.350 -15.347 1.00 13.01 H new ATOM 0 HE2 LYS A 40 -8.648 -1.866 -14.802 1.00 45.22 H new ATOM 0 HE3 LYS A 40 -9.495 -1.334 -16.241 1.00 45.22 H new ATOM 0 HZ1 LYS A 40 -8.467 -3.120 -17.124 1.00 51.04 H new ATOM 0 HZ2 LYS A 40 -7.164 -2.048 -17.315 1.00 51.04 H new ATOM 0 HZ3 LYS A 40 -7.200 -3.113 -15.993 1.00 51.04 H new ATOM 678 N GLU A 41 -8.158 1.067 -10.305 1.00 32.32 N ATOM 679 CA GLU A 41 -8.366 0.753 -8.877 1.00 73.13 C ATOM 680 C GLU A 41 -8.669 2.046 -8.097 1.00 25.42 C ATOM 681 O GLU A 41 -9.551 2.063 -7.229 1.00 53.11 O ATOM 682 CB GLU A 41 -7.122 0.041 -8.262 1.00 21.44 C ATOM 683 CG GLU A 41 -6.595 -1.192 -9.036 1.00 45.13 C ATOM 684 CD GLU A 41 -7.697 -2.173 -9.480 1.00 4.02 C ATOM 685 OE1 GLU A 41 -8.224 -2.924 -8.630 1.00 45.42 O ATOM 686 OE2 GLU A 41 -8.051 -2.194 -10.681 1.00 72.24 O ATOM 0 H GLU A 41 -7.196 0.935 -10.618 1.00 32.32 H new ATOM 0 HA GLU A 41 -9.214 0.072 -8.801 1.00 73.13 H new ATOM 0 HB2 GLU A 41 -6.314 0.768 -8.183 1.00 21.44 H new ATOM 0 HB3 GLU A 41 -7.371 -0.271 -7.248 1.00 21.44 H new ATOM 0 HG2 GLU A 41 -6.051 -0.850 -9.917 1.00 45.13 H new ATOM 0 HG3 GLU A 41 -5.881 -1.724 -8.408 1.00 45.13 H new ATOM 693 N MET A 42 -7.931 3.128 -8.440 1.00 60.15 N ATOM 694 CA MET A 42 -8.113 4.462 -7.830 1.00 34.01 C ATOM 695 C MET A 42 -9.515 5.014 -8.128 1.00 12.12 C ATOM 696 O MET A 42 -10.148 5.613 -7.257 1.00 41.44 O ATOM 697 CB MET A 42 -7.031 5.458 -8.319 1.00 13.44 C ATOM 698 CG MET A 42 -5.569 5.075 -7.998 1.00 35.44 C ATOM 699 SD MET A 42 -5.173 5.002 -6.235 1.00 45.45 S ATOM 700 CE MET A 42 -5.551 3.306 -5.775 1.00 11.03 C ATOM 0 H MET A 42 -7.195 3.099 -9.146 1.00 60.15 H new ATOM 0 HA MET A 42 -8.006 4.346 -6.752 1.00 34.01 H new ATOM 0 HB2 MET A 42 -7.129 5.570 -9.399 1.00 13.44 H new ATOM 0 HB3 MET A 42 -7.236 6.433 -7.878 1.00 13.44 H new ATOM 0 HG2 MET A 42 -5.357 4.103 -8.444 1.00 35.44 H new ATOM 0 HG3 MET A 42 -4.906 5.797 -8.475 1.00 35.44 H new ATOM 0 HE1 MET A 42 -5.479 3.198 -4.693 1.00 11.03 H new ATOM 0 HE2 MET A 42 -6.562 3.058 -6.098 1.00 11.03 H new ATOM 0 HE3 MET A 42 -4.842 2.632 -6.255 1.00 11.03 H new ATOM 710 N LYS A 43 -10.003 4.772 -9.358 1.00 13.33 N ATOM 711 CA LYS A 43 -11.343 5.212 -9.767 1.00 51.20 C ATOM 712 C LYS A 43 -12.431 4.473 -8.965 1.00 72.23 C ATOM 713 O LYS A 43 -13.407 5.093 -8.568 1.00 5.13 O ATOM 714 CB LYS A 43 -11.556 5.024 -11.290 1.00 71.52 C ATOM 715 CG LYS A 43 -10.712 5.973 -12.181 1.00 5.35 C ATOM 716 CD LYS A 43 -11.010 5.840 -13.702 1.00 33.11 C ATOM 717 CE LYS A 43 -12.321 6.529 -14.155 1.00 11.33 C ATOM 718 NZ LYS A 43 -13.560 5.941 -13.559 1.00 45.04 N ATOM 0 H LYS A 43 -9.487 4.274 -10.084 1.00 13.33 H new ATOM 0 HA LYS A 43 -11.424 6.277 -9.550 1.00 51.20 H new ATOM 0 HB2 LYS A 43 -11.318 3.993 -11.553 1.00 71.52 H new ATOM 0 HB3 LYS A 43 -12.611 5.176 -11.518 1.00 71.52 H new ATOM 0 HG2 LYS A 43 -10.895 7.003 -11.874 1.00 5.35 H new ATOM 0 HG3 LYS A 43 -9.655 5.772 -12.009 1.00 5.35 H new ATOM 0 HD2 LYS A 43 -10.177 6.265 -14.262 1.00 33.11 H new ATOM 0 HD3 LYS A 43 -11.061 4.782 -13.960 1.00 33.11 H new ATOM 0 HE2 LYS A 43 -12.272 7.586 -13.894 1.00 11.33 H new ATOM 0 HE3 LYS A 43 -12.392 6.472 -15.241 1.00 11.33 H new ATOM 0 HZ1 LYS A 43 -14.370 6.131 -14.183 1.00 45.04 H new ATOM 0 HZ2 LYS A 43 -13.440 4.914 -13.452 1.00 45.04 H new ATOM 0 HZ3 LYS A 43 -13.734 6.369 -12.627 1.00 45.04 H new ATOM 732 N LYS A 44 -12.217 3.157 -8.688 1.00 61.24 N ATOM 733 CA LYS A 44 -13.188 2.310 -7.929 1.00 2.00 C ATOM 734 C LYS A 44 -13.447 2.847 -6.507 1.00 41.04 C ATOM 735 O LYS A 44 -14.565 2.721 -5.979 1.00 62.04 O ATOM 736 CB LYS A 44 -12.716 0.828 -7.858 1.00 44.25 C ATOM 737 CG LYS A 44 -12.705 0.098 -9.217 1.00 61.30 C ATOM 738 CD LYS A 44 -14.094 0.099 -9.904 1.00 1.05 C ATOM 739 CE LYS A 44 -14.089 -0.629 -11.258 1.00 22.21 C ATOM 740 NZ LYS A 44 -13.187 0.022 -12.244 1.00 12.21 N ATOM 0 H LYS A 44 -11.378 2.656 -8.979 1.00 61.24 H new ATOM 0 HA LYS A 44 -14.127 2.355 -8.480 1.00 2.00 H new ATOM 0 HB2 LYS A 44 -11.712 0.799 -7.435 1.00 44.25 H new ATOM 0 HB3 LYS A 44 -13.366 0.285 -7.172 1.00 44.25 H new ATOM 0 HG2 LYS A 44 -11.978 0.574 -9.875 1.00 61.30 H new ATOM 0 HG3 LYS A 44 -12.377 -0.931 -9.070 1.00 61.30 H new ATOM 0 HD2 LYS A 44 -14.821 -0.375 -9.244 1.00 1.05 H new ATOM 0 HD3 LYS A 44 -14.421 1.128 -10.051 1.00 1.05 H new ATOM 0 HE2 LYS A 44 -13.777 -1.663 -11.111 1.00 22.21 H new ATOM 0 HE3 LYS A 44 -15.103 -0.655 -11.658 1.00 22.21 H new ATOM 0 HZ1 LYS A 44 -13.293 -0.441 -13.169 1.00 12.21 H new ATOM 0 HZ2 LYS A 44 -13.435 1.028 -12.330 1.00 12.21 H new ATOM 0 HZ3 LYS A 44 -12.201 -0.066 -11.924 1.00 12.21 H new ATOM 754 N LEU A 45 -12.402 3.453 -5.918 1.00 73.42 N ATOM 755 CA LEU A 45 -12.482 4.110 -4.595 1.00 31.34 C ATOM 756 C LEU A 45 -13.483 5.288 -4.641 1.00 44.45 C ATOM 757 O LEU A 45 -14.178 5.569 -3.662 1.00 30.52 O ATOM 758 CB LEU A 45 -11.077 4.627 -4.175 1.00 62.21 C ATOM 759 CG LEU A 45 -9.895 3.632 -4.360 1.00 43.54 C ATOM 760 CD1 LEU A 45 -8.554 4.302 -4.016 1.00 21.54 C ATOM 761 CD2 LEU A 45 -10.111 2.329 -3.563 1.00 2.32 C ATOM 0 H LEU A 45 -11.476 3.503 -6.343 1.00 73.42 H new ATOM 0 HA LEU A 45 -12.830 3.382 -3.862 1.00 31.34 H new ATOM 0 HB2 LEU A 45 -10.859 5.529 -4.747 1.00 62.21 H new ATOM 0 HB3 LEU A 45 -11.119 4.918 -3.125 1.00 62.21 H new ATOM 0 HG LEU A 45 -9.861 3.350 -5.412 1.00 43.54 H new ATOM 0 HD11 LEU A 45 -7.744 3.586 -4.153 1.00 21.54 H new ATOM 0 HD12 LEU A 45 -8.396 5.158 -4.672 1.00 21.54 H new ATOM 0 HD13 LEU A 45 -8.570 4.637 -2.979 1.00 21.54 H new ATOM 0 HD21 LEU A 45 -9.263 1.662 -3.720 1.00 2.32 H new ATOM 0 HD22 LEU A 45 -10.198 2.562 -2.502 1.00 2.32 H new ATOM 0 HD23 LEU A 45 -11.024 1.841 -3.904 1.00 2.32 H new ATOM 773 N ALA A 46 -13.536 5.939 -5.814 1.00 4.43 N ATOM 774 CA ALA A 46 -14.364 7.124 -6.082 1.00 53.40 C ATOM 775 C ALA A 46 -15.743 6.766 -6.684 1.00 23.43 C ATOM 776 O ALA A 46 -16.677 7.570 -6.559 1.00 13.24 O ATOM 777 CB ALA A 46 -13.596 8.059 -7.033 1.00 64.04 C ATOM 0 H ALA A 46 -12.989 5.647 -6.624 1.00 4.43 H new ATOM 0 HA ALA A 46 -14.561 7.619 -5.131 1.00 53.40 H new ATOM 0 HB1 ALA A 46 -14.199 8.943 -7.240 1.00 64.04 H new ATOM 0 HB2 ALA A 46 -12.658 8.361 -6.567 1.00 64.04 H new ATOM 0 HB3 ALA A 46 -13.386 7.536 -7.966 1.00 64.04 H new ATOM 783 N GLU A 47 -15.869 5.573 -7.336 1.00 2.10 N ATOM 784 CA GLU A 47 -17.112 5.194 -8.061 1.00 12.42 C ATOM 785 C GLU A 47 -18.304 5.072 -7.093 1.00 14.01 C ATOM 786 O GLU A 47 -19.339 5.723 -7.283 1.00 12.12 O ATOM 787 CB GLU A 47 -16.958 3.855 -8.852 1.00 51.24 C ATOM 788 CG GLU A 47 -15.898 3.838 -9.976 1.00 14.05 C ATOM 789 CD GLU A 47 -15.986 5.021 -10.957 1.00 52.44 C ATOM 790 OE1 GLU A 47 -16.993 5.133 -11.687 1.00 25.24 O ATOM 791 OE2 GLU A 47 -15.039 5.831 -11.024 1.00 60.41 O ATOM 0 H GLU A 47 -15.133 4.868 -7.372 1.00 2.10 H new ATOM 0 HA GLU A 47 -17.300 5.994 -8.777 1.00 12.42 H new ATOM 0 HB2 GLU A 47 -16.715 3.065 -8.142 1.00 51.24 H new ATOM 0 HB3 GLU A 47 -17.924 3.604 -9.290 1.00 51.24 H new ATOM 0 HG2 GLU A 47 -14.907 3.832 -9.523 1.00 14.05 H new ATOM 0 HG3 GLU A 47 -15.998 2.909 -10.537 1.00 14.05 H new ATOM 798 N GLU A 48 -18.150 4.228 -6.059 1.00 23.21 N ATOM 799 CA GLU A 48 -19.181 4.022 -5.041 1.00 72.13 C ATOM 800 C GLU A 48 -19.088 5.113 -3.939 1.00 63.24 C ATOM 801 O GLU A 48 -18.024 5.722 -3.742 1.00 24.44 O ATOM 802 CB GLU A 48 -19.045 2.577 -4.462 1.00 2.03 C ATOM 803 CG GLU A 48 -20.351 1.773 -4.418 1.00 14.52 C ATOM 804 CD GLU A 48 -21.441 2.416 -3.543 1.00 4.54 C ATOM 805 OE1 GLU A 48 -21.363 2.298 -2.307 1.00 65.31 O ATOM 806 OE2 GLU A 48 -22.351 3.091 -4.087 1.00 50.13 O ATOM 0 H GLU A 48 -17.307 3.673 -5.910 1.00 23.21 H new ATOM 0 HA GLU A 48 -20.171 4.117 -5.488 1.00 72.13 H new ATOM 0 HB2 GLU A 48 -18.318 2.028 -5.061 1.00 2.03 H new ATOM 0 HB3 GLU A 48 -18.642 2.643 -3.452 1.00 2.03 H new ATOM 0 HG2 GLU A 48 -20.732 1.659 -5.433 1.00 14.52 H new ATOM 0 HG3 GLU A 48 -20.139 0.772 -4.043 1.00 14.52 H new ATOM 813 N LYS A 49 -20.213 5.349 -3.234 1.00 1.24 N ATOM 814 CA LYS A 49 -20.338 6.423 -2.219 1.00 31.10 C ATOM 815 C LYS A 49 -20.265 5.883 -0.773 1.00 53.44 C ATOM 816 O LYS A 49 -19.624 6.496 0.090 1.00 34.24 O ATOM 817 CB LYS A 49 -21.666 7.207 -2.431 1.00 62.21 C ATOM 818 CG LYS A 49 -22.947 6.347 -2.335 1.00 1.44 C ATOM 819 CD LYS A 49 -24.249 7.162 -2.465 1.00 43.44 C ATOM 820 CE LYS A 49 -24.377 7.892 -3.811 1.00 23.01 C ATOM 821 NZ LYS A 49 -24.312 6.960 -4.970 1.00 63.53 N ATOM 0 H LYS A 49 -21.065 4.800 -3.351 1.00 1.24 H new ATOM 0 HA LYS A 49 -19.489 7.093 -2.354 1.00 31.10 H new ATOM 0 HB2 LYS A 49 -21.724 8.004 -1.690 1.00 62.21 H new ATOM 0 HB3 LYS A 49 -21.638 7.684 -3.411 1.00 62.21 H new ATOM 0 HG2 LYS A 49 -22.924 5.588 -3.117 1.00 1.44 H new ATOM 0 HG3 LYS A 49 -22.951 5.822 -1.380 1.00 1.44 H new ATOM 0 HD2 LYS A 49 -25.101 6.494 -2.339 1.00 43.44 H new ATOM 0 HD3 LYS A 49 -24.294 7.893 -1.657 1.00 43.44 H new ATOM 0 HE2 LYS A 49 -25.321 8.436 -3.838 1.00 23.01 H new ATOM 0 HE3 LYS A 49 -23.581 8.631 -3.898 1.00 23.01 H new ATOM 0 HZ1 LYS A 49 -24.504 7.484 -5.848 1.00 63.53 H new ATOM 0 HZ2 LYS A 49 -23.364 6.535 -5.021 1.00 63.53 H new ATOM 0 HZ3 LYS A 49 -25.022 6.210 -4.852 1.00 63.53 H new ATOM 835 N ASN A 50 -20.919 4.736 -0.497 1.00 70.03 N ATOM 836 CA ASN A 50 -21.117 4.233 0.881 1.00 41.22 C ATOM 837 C ASN A 50 -20.609 2.793 1.007 1.00 51.52 C ATOM 838 O ASN A 50 -21.370 1.831 0.855 1.00 62.14 O ATOM 839 CB ASN A 50 -22.616 4.344 1.308 1.00 75.31 C ATOM 840 CG ASN A 50 -23.106 5.789 1.477 1.00 1.44 C ATOM 841 OD1 ASN A 50 -22.333 6.695 1.802 1.00 1.31 O ATOM 842 ND2 ASN A 50 -24.396 6.016 1.280 1.00 4.43 N ATOM 0 H ASN A 50 -21.322 4.135 -1.216 1.00 70.03 H new ATOM 0 HA ASN A 50 -20.535 4.857 1.559 1.00 41.22 H new ATOM 0 HB2 ASN A 50 -23.235 3.845 0.562 1.00 75.31 H new ATOM 0 HB3 ASN A 50 -22.757 3.810 2.248 1.00 75.31 H new ATOM 0 HD21 ASN A 50 -24.772 6.957 1.396 1.00 4.43 H new ATOM 0 HD22 ASN A 50 -25.014 5.250 1.012 1.00 4.43 H new ATOM 849 N PHE A 51 -19.309 2.671 1.291 1.00 51.35 N ATOM 850 CA PHE A 51 -18.613 1.382 1.415 1.00 54.31 C ATOM 851 C PHE A 51 -17.283 1.593 2.165 1.00 35.15 C ATOM 852 O PHE A 51 -16.794 2.733 2.278 1.00 24.44 O ATOM 853 CB PHE A 51 -18.373 0.734 0.009 1.00 24.51 C ATOM 854 CG PHE A 51 -17.403 1.477 -0.929 1.00 30.42 C ATOM 855 CD1 PHE A 51 -17.470 2.864 -1.109 1.00 2.40 C ATOM 856 CD2 PHE A 51 -16.433 0.781 -1.650 1.00 5.51 C ATOM 857 CE1 PHE A 51 -16.607 3.514 -1.966 1.00 34.01 C ATOM 858 CE2 PHE A 51 -15.571 1.437 -2.506 1.00 14.42 C ATOM 859 CZ PHE A 51 -15.657 2.799 -2.663 1.00 70.24 C ATOM 0 H PHE A 51 -18.700 3.475 1.444 1.00 51.35 H new ATOM 0 HA PHE A 51 -19.237 0.692 1.984 1.00 54.31 H new ATOM 0 HB2 PHE A 51 -17.996 -0.278 0.159 1.00 24.51 H new ATOM 0 HB3 PHE A 51 -19.335 0.645 -0.495 1.00 24.51 H new ATOM 0 HD1 PHE A 51 -18.210 3.434 -0.567 1.00 2.40 H new ATOM 0 HD2 PHE A 51 -16.355 -0.290 -1.537 1.00 5.51 H new ATOM 0 HE1 PHE A 51 -16.676 4.585 -2.091 1.00 34.01 H new ATOM 0 HE2 PHE A 51 -14.827 0.878 -3.054 1.00 14.42 H new ATOM 0 HZ PHE A 51 -14.980 3.309 -3.332 1.00 70.24 H new ATOM 869 N GLU A 52 -16.704 0.490 2.661 1.00 30.13 N ATOM 870 CA GLU A 52 -15.436 0.510 3.416 1.00 1.32 C ATOM 871 C GLU A 52 -14.223 0.721 2.480 1.00 0.04 C ATOM 872 O GLU A 52 -14.359 0.825 1.250 1.00 62.25 O ATOM 873 CB GLU A 52 -15.255 -0.794 4.260 1.00 63.20 C ATOM 874 CG GLU A 52 -15.030 -2.107 3.459 1.00 2.24 C ATOM 875 CD GLU A 52 -16.316 -2.734 2.893 1.00 13.14 C ATOM 876 OE1 GLU A 52 -16.751 -2.353 1.786 1.00 13.45 O ATOM 877 OE2 GLU A 52 -16.912 -3.604 3.567 1.00 5.31 O ATOM 0 H GLU A 52 -17.100 -0.444 2.552 1.00 30.13 H new ATOM 0 HA GLU A 52 -15.485 1.355 4.102 1.00 1.32 H new ATOM 0 HB2 GLU A 52 -14.407 -0.653 4.930 1.00 63.20 H new ATOM 0 HB3 GLU A 52 -16.138 -0.922 4.886 1.00 63.20 H new ATOM 0 HG2 GLU A 52 -14.346 -1.903 2.635 1.00 2.24 H new ATOM 0 HG3 GLU A 52 -14.540 -2.834 4.107 1.00 2.24 H new ATOM 884 N LYS A 53 -13.038 0.777 3.099 1.00 24.52 N ATOM 885 CA LYS A 53 -11.764 1.042 2.413 1.00 34.11 C ATOM 886 C LYS A 53 -11.098 -0.252 1.920 1.00 40.40 C ATOM 887 O LYS A 53 -11.275 -1.331 2.500 1.00 21.40 O ATOM 888 CB LYS A 53 -10.845 1.846 3.360 1.00 52.40 C ATOM 889 CG LYS A 53 -10.599 1.172 4.735 1.00 61.44 C ATOM 890 CD LYS A 53 -10.380 2.197 5.876 1.00 72.41 C ATOM 891 CE LYS A 53 -10.397 1.550 7.268 1.00 74.33 C ATOM 892 NZ LYS A 53 -10.593 2.558 8.343 1.00 55.23 N ATOM 0 H LYS A 53 -12.934 0.638 4.104 1.00 24.52 H new ATOM 0 HA LYS A 53 -11.955 1.634 1.518 1.00 34.11 H new ATOM 0 HB2 LYS A 53 -9.885 2.003 2.869 1.00 52.40 H new ATOM 0 HB3 LYS A 53 -11.284 2.830 3.524 1.00 52.40 H new ATOM 0 HG2 LYS A 53 -11.451 0.538 4.981 1.00 61.44 H new ATOM 0 HG3 LYS A 53 -9.727 0.522 4.665 1.00 61.44 H new ATOM 0 HD2 LYS A 53 -9.426 2.702 5.727 1.00 72.41 H new ATOM 0 HD3 LYS A 53 -11.156 2.961 5.826 1.00 72.41 H new ATOM 0 HE2 LYS A 53 -11.195 0.809 7.315 1.00 74.33 H new ATOM 0 HE3 LYS A 53 -9.459 1.019 7.434 1.00 74.33 H new ATOM 0 HZ1 LYS A 53 -10.022 2.297 9.172 1.00 55.23 H new ATOM 0 HZ2 LYS A 53 -10.296 3.494 8.000 1.00 55.23 H new ATOM 0 HZ3 LYS A 53 -11.598 2.590 8.610 1.00 55.23 H new ATOM 906 N ILE A 54 -10.342 -0.109 0.824 1.00 40.12 N ATOM 907 CA ILE A 54 -9.715 -1.223 0.104 1.00 4.21 C ATOM 908 C ILE A 54 -8.198 -1.241 0.406 1.00 54.14 C ATOM 909 O ILE A 54 -7.560 -0.185 0.462 1.00 71.32 O ATOM 910 CB ILE A 54 -9.959 -1.115 -1.464 1.00 35.12 C ATOM 911 CG1 ILE A 54 -11.486 -1.208 -1.847 1.00 71.40 C ATOM 912 CG2 ILE A 54 -9.151 -2.180 -2.236 1.00 73.03 C ATOM 913 CD1 ILE A 54 -12.303 0.056 -1.597 1.00 22.22 C ATOM 0 H ILE A 54 -10.146 0.801 0.406 1.00 40.12 H new ATOM 0 HA ILE A 54 -10.171 -2.152 0.446 1.00 4.21 H new ATOM 0 HB ILE A 54 -9.606 -0.126 -1.758 1.00 35.12 H new ATOM 0 HG12 ILE A 54 -11.563 -1.467 -2.903 1.00 71.40 H new ATOM 0 HG13 ILE A 54 -11.935 -2.027 -1.285 1.00 71.40 H new ATOM 0 HG21 ILE A 54 -9.341 -2.077 -3.304 1.00 73.03 H new ATOM 0 HG22 ILE A 54 -8.087 -2.041 -2.042 1.00 73.03 H new ATOM 0 HG23 ILE A 54 -9.453 -3.175 -1.908 1.00 73.03 H new ATOM 0 HD11 ILE A 54 -13.338 -0.115 -1.894 1.00 22.22 H new ATOM 0 HD12 ILE A 54 -12.267 0.309 -0.537 1.00 22.22 H new ATOM 0 HD13 ILE A 54 -11.889 0.878 -2.181 1.00 22.22 H new ATOM 925 N LEU A 55 -7.642 -2.439 0.622 1.00 21.40 N ATOM 926 CA LEU A 55 -6.196 -2.637 0.764 1.00 43.45 C ATOM 927 C LEU A 55 -5.593 -2.931 -0.620 1.00 65.45 C ATOM 928 O LEU A 55 -6.007 -3.876 -1.295 1.00 13.44 O ATOM 929 CB LEU A 55 -5.913 -3.779 1.781 1.00 22.21 C ATOM 930 CG LEU A 55 -4.390 -4.100 2.062 1.00 44.53 C ATOM 931 CD1 LEU A 55 -4.125 -4.378 3.558 1.00 15.21 C ATOM 932 CD2 LEU A 55 -3.876 -5.273 1.194 1.00 63.53 C ATOM 0 H LEU A 55 -8.184 -3.299 0.703 1.00 21.40 H new ATOM 0 HA LEU A 55 -5.726 -1.735 1.155 1.00 43.45 H new ATOM 0 HB2 LEU A 55 -6.389 -3.522 2.727 1.00 22.21 H new ATOM 0 HB3 LEU A 55 -6.394 -4.688 1.419 1.00 22.21 H new ATOM 0 HG LEU A 55 -3.832 -3.206 1.783 1.00 44.53 H new ATOM 0 HD11 LEU A 55 -3.067 -4.594 3.706 1.00 15.21 H new ATOM 0 HD12 LEU A 55 -4.403 -3.503 4.145 1.00 15.21 H new ATOM 0 HD13 LEU A 55 -4.718 -5.234 3.880 1.00 15.21 H new ATOM 0 HD21 LEU A 55 -2.826 -5.459 1.419 1.00 63.53 H new ATOM 0 HD22 LEU A 55 -4.458 -6.169 1.411 1.00 63.53 H new ATOM 0 HD23 LEU A 55 -3.981 -5.019 0.139 1.00 63.53 H new ATOM 944 N ILE A 56 -4.647 -2.093 -1.046 1.00 23.40 N ATOM 945 CA ILE A 56 -3.935 -2.245 -2.321 1.00 44.24 C ATOM 946 C ILE A 56 -2.570 -2.918 -2.051 1.00 41.43 C ATOM 947 O ILE A 56 -1.917 -2.607 -1.055 1.00 40.13 O ATOM 948 CB ILE A 56 -3.700 -0.836 -3.008 1.00 61.11 C ATOM 949 CG1 ILE A 56 -5.028 -0.006 -3.130 1.00 61.32 C ATOM 950 CG2 ILE A 56 -3.016 -0.982 -4.390 1.00 51.13 C ATOM 951 CD1 ILE A 56 -6.099 -0.595 -4.042 1.00 3.01 C ATOM 0 H ILE A 56 -4.348 -1.278 -0.510 1.00 23.40 H new ATOM 0 HA ILE A 56 -4.536 -2.858 -2.992 1.00 44.24 H new ATOM 0 HB ILE A 56 -3.027 -0.282 -2.354 1.00 61.11 H new ATOM 0 HG12 ILE A 56 -5.452 0.113 -2.133 1.00 61.32 H new ATOM 0 HG13 ILE A 56 -4.779 0.992 -3.492 1.00 61.32 H new ATOM 0 HG21 ILE A 56 -2.871 0.005 -4.830 1.00 51.13 H new ATOM 0 HG22 ILE A 56 -2.049 -1.470 -4.268 1.00 51.13 H new ATOM 0 HG23 ILE A 56 -3.646 -1.583 -5.046 1.00 51.13 H new ATOM 0 HD11 ILE A 56 -6.970 0.060 -4.050 1.00 3.01 H new ATOM 0 HD12 ILE A 56 -5.705 -0.687 -5.054 1.00 3.01 H new ATOM 0 HD13 ILE A 56 -6.389 -1.579 -3.674 1.00 3.01 H new ATOM 963 N ILE A 57 -2.167 -3.873 -2.903 1.00 12.55 N ATOM 964 CA ILE A 57 -0.783 -4.404 -2.941 1.00 62.40 C ATOM 965 C ILE A 57 -0.223 -4.118 -4.343 1.00 72.43 C ATOM 966 O ILE A 57 -0.922 -4.324 -5.328 1.00 52.32 O ATOM 967 CB ILE A 57 -0.719 -5.960 -2.623 1.00 13.12 C ATOM 968 CG1 ILE A 57 -1.311 -6.264 -1.205 1.00 31.25 C ATOM 969 CG2 ILE A 57 0.732 -6.504 -2.744 1.00 31.41 C ATOM 970 CD1 ILE A 57 -1.324 -7.736 -0.806 1.00 43.40 C ATOM 0 H ILE A 57 -2.787 -4.304 -3.589 1.00 12.55 H new ATOM 0 HA ILE A 57 -0.189 -3.915 -2.169 1.00 62.40 H new ATOM 0 HB ILE A 57 -1.329 -6.475 -3.365 1.00 13.12 H new ATOM 0 HG12 ILE A 57 -0.737 -5.709 -0.463 1.00 31.25 H new ATOM 0 HG13 ILE A 57 -2.332 -5.885 -1.167 1.00 31.25 H new ATOM 0 HG21 ILE A 57 0.740 -7.571 -2.520 1.00 31.41 H new ATOM 0 HG22 ILE A 57 1.098 -6.343 -3.758 1.00 31.41 H new ATOM 0 HG23 ILE A 57 1.377 -5.980 -2.039 1.00 31.41 H new ATOM 0 HD11 ILE A 57 -1.752 -7.839 0.191 1.00 43.40 H new ATOM 0 HD12 ILE A 57 -1.924 -8.301 -1.519 1.00 43.40 H new ATOM 0 HD13 ILE A 57 -0.304 -8.122 -0.804 1.00 43.40 H new ATOM 982 N SER A 58 1.008 -3.608 -4.428 1.00 13.34 N ATOM 983 CA SER A 58 1.680 -3.336 -5.703 1.00 50.23 C ATOM 984 C SER A 58 3.110 -3.880 -5.668 1.00 51.04 C ATOM 985 O SER A 58 3.786 -3.833 -4.626 1.00 32.21 O ATOM 986 CB SER A 58 1.683 -1.827 -6.018 1.00 12.15 C ATOM 987 OG SER A 58 2.265 -1.561 -7.288 1.00 52.15 O ATOM 0 H SER A 58 1.570 -3.371 -3.611 1.00 13.34 H new ATOM 0 HA SER A 58 1.129 -3.841 -6.496 1.00 50.23 H new ATOM 0 HB2 SER A 58 0.661 -1.448 -5.998 1.00 12.15 H new ATOM 0 HB3 SER A 58 2.236 -1.294 -5.244 1.00 12.15 H new ATOM 0 HG SER A 58 2.025 -2.276 -7.914 1.00 52.15 H new ATOM 993 N ASN A 59 3.556 -4.386 -6.823 1.00 35.32 N ATOM 994 CA ASN A 59 4.874 -5.015 -6.992 1.00 4.21 C ATOM 995 C ASN A 59 5.993 -3.952 -7.096 1.00 74.10 C ATOM 996 O ASN A 59 7.113 -4.163 -6.619 1.00 31.23 O ATOM 997 CB ASN A 59 4.874 -5.908 -8.270 1.00 5.13 C ATOM 998 CG ASN A 59 3.828 -7.035 -8.275 1.00 4.50 C ATOM 999 OD1 ASN A 59 2.741 -6.911 -7.712 1.00 13.50 O ATOM 1000 ND2 ASN A 59 4.141 -8.147 -8.930 1.00 54.33 N ATOM 0 H ASN A 59 3.004 -4.371 -7.681 1.00 35.32 H new ATOM 0 HA ASN A 59 5.071 -5.631 -6.115 1.00 4.21 H new ATOM 0 HB2 ASN A 59 4.705 -5.272 -9.139 1.00 5.13 H new ATOM 0 HB3 ASN A 59 5.863 -6.350 -8.386 1.00 5.13 H new ATOM 0 HD21 ASN A 59 3.475 -8.918 -8.973 1.00 54.33 H new ATOM 0 HD22 ASN A 59 5.048 -8.230 -9.390 1.00 54.33 H new ATOM 1007 N ASP A 60 5.659 -2.797 -7.695 1.00 34.15 N ATOM 1008 CA ASP A 60 6.650 -1.769 -8.105 1.00 13.10 C ATOM 1009 C ASP A 60 6.378 -0.412 -7.428 1.00 24.44 C ATOM 1010 O ASP A 60 5.228 -0.073 -7.129 1.00 21.43 O ATOM 1011 CB ASP A 60 6.630 -1.630 -9.653 1.00 2.30 C ATOM 1012 CG ASP A 60 7.523 -0.495 -10.196 1.00 41.33 C ATOM 1013 OD1 ASP A 60 8.765 -0.597 -10.090 1.00 24.22 O ATOM 1014 OD2 ASP A 60 6.992 0.502 -10.724 1.00 51.35 O ATOM 0 H ASP A 60 4.695 -2.543 -7.912 1.00 34.15 H new ATOM 0 HA ASP A 60 7.640 -2.091 -7.781 1.00 13.10 H new ATOM 0 HB2 ASP A 60 6.950 -2.573 -10.096 1.00 2.30 H new ATOM 0 HB3 ASP A 60 5.604 -1.458 -9.978 1.00 2.30 H new ATOM 1019 N LYS A 61 7.469 0.364 -7.240 1.00 31.25 N ATOM 1020 CA LYS A 61 7.465 1.648 -6.512 1.00 71.33 C ATOM 1021 C LYS A 61 6.949 2.817 -7.365 1.00 1.42 C ATOM 1022 O LYS A 61 6.300 3.724 -6.831 1.00 62.13 O ATOM 1023 CB LYS A 61 8.881 1.958 -5.951 1.00 52.22 C ATOM 1024 CG LYS A 61 9.321 0.993 -4.833 1.00 63.43 C ATOM 1025 CD LYS A 61 10.726 1.307 -4.274 1.00 73.41 C ATOM 1026 CE LYS A 61 11.063 0.478 -3.022 1.00 11.31 C ATOM 1027 NZ LYS A 61 11.048 -0.984 -3.289 1.00 4.42 N ATOM 0 H LYS A 61 8.390 0.110 -7.596 1.00 31.25 H new ATOM 0 HA LYS A 61 6.767 1.539 -5.682 1.00 71.33 H new ATOM 0 HB2 LYS A 61 9.604 1.913 -6.765 1.00 52.22 H new ATOM 0 HB3 LYS A 61 8.896 2.978 -5.567 1.00 52.22 H new ATOM 0 HG2 LYS A 61 8.596 1.035 -4.020 1.00 63.43 H new ATOM 0 HG3 LYS A 61 9.310 -0.027 -5.217 1.00 63.43 H new ATOM 0 HD2 LYS A 61 11.472 1.113 -5.045 1.00 73.41 H new ATOM 0 HD3 LYS A 61 10.788 2.368 -4.030 1.00 73.41 H new ATOM 0 HE2 LYS A 61 12.047 0.767 -2.652 1.00 11.31 H new ATOM 0 HE3 LYS A 61 10.346 0.708 -2.234 1.00 11.31 H new ATOM 0 HZ1 LYS A 61 11.700 -1.463 -2.635 1.00 4.42 H new ATOM 0 HZ2 LYS A 61 10.085 -1.352 -3.150 1.00 4.42 H new ATOM 0 HZ3 LYS A 61 11.348 -1.161 -4.269 1.00 4.42 H new ATOM 1041 N GLN A 62 7.223 2.804 -8.687 1.00 34.01 N ATOM 1042 CA GLN A 62 6.738 3.869 -9.593 1.00 54.42 C ATOM 1043 C GLN A 62 5.201 3.845 -9.659 1.00 4.01 C ATOM 1044 O GLN A 62 4.574 4.901 -9.734 1.00 2.23 O ATOM 1045 CB GLN A 62 7.352 3.759 -11.017 1.00 73.34 C ATOM 1046 CG GLN A 62 8.878 3.947 -11.061 1.00 22.42 C ATOM 1047 CD GLN A 62 9.435 3.973 -12.487 1.00 41.52 C ATOM 1048 OE1 GLN A 62 9.811 2.937 -13.045 1.00 11.12 O ATOM 1049 NE2 GLN A 62 9.479 5.155 -13.096 1.00 42.24 N ATOM 0 H GLN A 62 7.771 2.077 -9.147 1.00 34.01 H new ATOM 0 HA GLN A 62 7.065 4.824 -9.182 1.00 54.42 H new ATOM 0 HB2 GLN A 62 7.105 2.782 -11.433 1.00 73.34 H new ATOM 0 HB3 GLN A 62 6.886 4.506 -11.660 1.00 73.34 H new ATOM 0 HG2 GLN A 62 9.139 4.878 -10.558 1.00 22.42 H new ATOM 0 HG3 GLN A 62 9.355 3.140 -10.505 1.00 22.42 H new ATOM 0 HE21 GLN A 62 9.161 5.992 -12.608 1.00 42.24 H new ATOM 0 HE22 GLN A 62 9.831 5.224 -14.051 1.00 42.24 H new ATOM 1058 N LEU A 63 4.622 2.629 -9.548 1.00 32.12 N ATOM 1059 CA LEU A 63 3.159 2.415 -9.562 1.00 5.44 C ATOM 1060 C LEU A 63 2.509 3.002 -8.291 1.00 41.12 C ATOM 1061 O LEU A 63 1.412 3.590 -8.355 1.00 41.11 O ATOM 1062 CB LEU A 63 2.827 0.900 -9.670 1.00 70.23 C ATOM 1063 CG LEU A 63 3.460 0.145 -10.879 1.00 14.03 C ATOM 1064 CD1 LEU A 63 3.049 -1.343 -10.889 1.00 74.52 C ATOM 1065 CD2 LEU A 63 3.122 0.836 -12.213 1.00 42.12 C ATOM 0 H LEU A 63 5.158 1.767 -9.446 1.00 32.12 H new ATOM 0 HA LEU A 63 2.754 2.928 -10.434 1.00 5.44 H new ATOM 0 HB2 LEU A 63 3.152 0.411 -8.752 1.00 70.23 H new ATOM 0 HB3 LEU A 63 1.744 0.789 -9.725 1.00 70.23 H new ATOM 0 HG LEU A 63 4.543 0.183 -10.760 1.00 14.03 H new ATOM 0 HD11 LEU A 63 3.507 -1.841 -11.744 1.00 74.52 H new ATOM 0 HD12 LEU A 63 3.386 -1.820 -9.968 1.00 74.52 H new ATOM 0 HD13 LEU A 63 1.964 -1.420 -10.962 1.00 74.52 H new ATOM 0 HD21 LEU A 63 3.579 0.284 -13.035 1.00 42.12 H new ATOM 0 HD22 LEU A 63 2.041 0.858 -12.348 1.00 42.12 H new ATOM 0 HD23 LEU A 63 3.507 1.856 -12.202 1.00 42.12 H new ATOM 1077 N LEU A 64 3.221 2.830 -7.145 1.00 12.51 N ATOM 1078 CA LEU A 64 2.793 3.346 -5.827 1.00 32.34 C ATOM 1079 C LEU A 64 2.544 4.849 -5.896 1.00 25.20 C ATOM 1080 O LEU A 64 1.438 5.290 -5.632 1.00 64.32 O ATOM 1081 CB LEU A 64 3.852 3.070 -4.729 1.00 53.11 C ATOM 1082 CG LEU A 64 4.186 1.584 -4.432 1.00 13.33 C ATOM 1083 CD1 LEU A 64 5.375 1.498 -3.461 1.00 61.40 C ATOM 1084 CD2 LEU A 64 2.954 0.829 -3.888 1.00 35.01 C ATOM 0 H LEU A 64 4.108 2.328 -7.115 1.00 12.51 H new ATOM 0 HA LEU A 64 1.872 2.824 -5.567 1.00 32.34 H new ATOM 0 HB2 LEU A 64 4.775 3.575 -5.014 1.00 53.11 H new ATOM 0 HB3 LEU A 64 3.509 3.532 -3.803 1.00 53.11 H new ATOM 0 HG LEU A 64 4.469 1.098 -5.366 1.00 13.33 H new ATOM 0 HD11 LEU A 64 5.603 0.452 -3.257 1.00 61.40 H new ATOM 0 HD12 LEU A 64 6.245 1.979 -3.908 1.00 61.40 H new ATOM 0 HD13 LEU A 64 5.121 2.002 -2.529 1.00 61.40 H new ATOM 0 HD21 LEU A 64 3.221 -0.209 -3.690 1.00 35.01 H new ATOM 0 HD22 LEU A 64 2.618 1.299 -2.964 1.00 35.01 H new ATOM 0 HD23 LEU A 64 2.152 0.863 -4.625 1.00 35.01 H new ATOM 1096 N LYS A 65 3.585 5.599 -6.330 1.00 30.15 N ATOM 1097 CA LYS A 65 3.593 7.077 -6.315 1.00 0.15 C ATOM 1098 C LYS A 65 2.436 7.662 -7.149 1.00 45.01 C ATOM 1099 O LYS A 65 1.814 8.655 -6.743 1.00 43.11 O ATOM 1100 CB LYS A 65 4.947 7.620 -6.836 1.00 12.43 C ATOM 1101 CG LYS A 65 5.125 9.150 -6.643 1.00 43.40 C ATOM 1102 CD LYS A 65 6.286 9.740 -7.479 1.00 11.21 C ATOM 1103 CE LYS A 65 6.027 9.625 -8.992 1.00 12.14 C ATOM 1104 NZ LYS A 65 7.121 10.231 -9.793 1.00 51.41 N ATOM 0 H LYS A 65 4.444 5.193 -6.701 1.00 30.15 H new ATOM 0 HA LYS A 65 3.455 7.392 -5.281 1.00 0.15 H new ATOM 0 HB2 LYS A 65 5.757 7.102 -6.323 1.00 12.43 H new ATOM 0 HB3 LYS A 65 5.039 7.384 -7.896 1.00 12.43 H new ATOM 0 HG2 LYS A 65 4.198 9.654 -6.915 1.00 43.40 H new ATOM 0 HG3 LYS A 65 5.303 9.358 -5.588 1.00 43.40 H new ATOM 0 HD2 LYS A 65 6.427 10.788 -7.214 1.00 11.21 H new ATOM 0 HD3 LYS A 65 7.212 9.221 -7.230 1.00 11.21 H new ATOM 0 HE2 LYS A 65 5.919 8.575 -9.262 1.00 12.14 H new ATOM 0 HE3 LYS A 65 5.085 10.115 -9.236 1.00 12.14 H new ATOM 0 HZ1 LYS A 65 6.906 10.131 -10.806 1.00 51.41 H new ATOM 0 HZ2 LYS A 65 7.208 11.240 -9.555 1.00 51.41 H new ATOM 0 HZ3 LYS A 65 8.016 9.747 -9.580 1.00 51.41 H new ATOM 1118 N GLU A 66 2.167 7.018 -8.303 1.00 45.10 N ATOM 1119 CA GLU A 66 1.012 7.345 -9.157 1.00 50.53 C ATOM 1120 C GLU A 66 -0.308 7.238 -8.363 1.00 40.11 C ATOM 1121 O GLU A 66 -1.131 8.158 -8.369 1.00 45.24 O ATOM 1122 CB GLU A 66 0.939 6.401 -10.380 1.00 12.02 C ATOM 1123 CG GLU A 66 2.215 6.297 -11.231 1.00 73.32 C ATOM 1124 CD GLU A 66 2.761 7.649 -11.710 1.00 32.23 C ATOM 1125 OE1 GLU A 66 2.227 8.198 -12.695 1.00 52.53 O ATOM 1126 OE2 GLU A 66 3.731 8.167 -11.115 1.00 13.45 O ATOM 0 H GLU A 66 2.744 6.259 -8.666 1.00 45.10 H new ATOM 0 HA GLU A 66 1.146 8.370 -9.502 1.00 50.53 H new ATOM 0 HB2 GLU A 66 0.679 5.403 -10.028 1.00 12.02 H new ATOM 0 HB3 GLU A 66 0.124 6.734 -11.023 1.00 12.02 H new ATOM 0 HG2 GLU A 66 2.986 5.791 -10.650 1.00 73.32 H new ATOM 0 HG3 GLU A 66 2.009 5.672 -12.100 1.00 73.32 H new ATOM 1133 N MET A 67 -0.481 6.101 -7.668 1.00 4.04 N ATOM 1134 CA MET A 67 -1.665 5.860 -6.828 1.00 23.21 C ATOM 1135 C MET A 67 -1.749 6.865 -5.659 1.00 22.11 C ATOM 1136 O MET A 67 -2.825 7.369 -5.386 1.00 52.21 O ATOM 1137 CB MET A 67 -1.690 4.401 -6.310 1.00 0.24 C ATOM 1138 CG MET A 67 -2.059 3.363 -7.364 1.00 53.41 C ATOM 1139 SD MET A 67 -2.134 1.673 -6.730 1.00 33.44 S ATOM 1140 CE MET A 67 -0.399 1.244 -6.578 1.00 12.11 C ATOM 0 H MET A 67 0.188 5.331 -7.672 1.00 4.04 H new ATOM 0 HA MET A 67 -2.545 6.013 -7.453 1.00 23.21 H new ATOM 0 HB2 MET A 67 -0.708 4.156 -5.905 1.00 0.24 H new ATOM 0 HB3 MET A 67 -2.401 4.333 -5.487 1.00 0.24 H new ATOM 0 HG2 MET A 67 -3.027 3.623 -7.793 1.00 53.41 H new ATOM 0 HG3 MET A 67 -1.330 3.405 -8.173 1.00 53.41 H new ATOM 0 HE1 MET A 67 -0.132 0.527 -7.354 1.00 12.11 H new ATOM 0 HE2 MET A 67 0.209 2.142 -6.689 1.00 12.11 H new ATOM 0 HE3 MET A 67 -0.218 0.803 -5.598 1.00 12.11 H new ATOM 1150 N LEU A 68 -0.597 7.185 -5.026 1.00 53.21 N ATOM 1151 CA LEU A 68 -0.535 8.095 -3.852 1.00 33.43 C ATOM 1152 C LEU A 68 -1.133 9.484 -4.173 1.00 62.21 C ATOM 1153 O LEU A 68 -1.935 10.019 -3.397 1.00 32.25 O ATOM 1154 CB LEU A 68 0.927 8.271 -3.347 1.00 53.53 C ATOM 1155 CG LEU A 68 1.741 6.981 -3.012 1.00 12.31 C ATOM 1156 CD1 LEU A 68 3.142 7.343 -2.497 1.00 52.14 C ATOM 1157 CD2 LEU A 68 1.012 6.044 -2.026 1.00 72.44 C ATOM 0 H LEU A 68 0.313 6.823 -5.311 1.00 53.21 H new ATOM 0 HA LEU A 68 -1.131 7.629 -3.067 1.00 33.43 H new ATOM 0 HB2 LEU A 68 1.478 8.828 -4.105 1.00 53.53 H new ATOM 0 HB3 LEU A 68 0.900 8.892 -2.452 1.00 53.53 H new ATOM 0 HG LEU A 68 1.841 6.424 -3.943 1.00 12.31 H new ATOM 0 HD11 LEU A 68 3.693 6.430 -2.269 1.00 52.14 H new ATOM 0 HD12 LEU A 68 3.676 7.908 -3.261 1.00 52.14 H new ATOM 0 HD13 LEU A 68 3.053 7.948 -1.595 1.00 52.14 H new ATOM 0 HD21 LEU A 68 1.629 5.166 -1.834 1.00 72.44 H new ATOM 0 HD22 LEU A 68 0.830 6.572 -1.090 1.00 72.44 H new ATOM 0 HD23 LEU A 68 0.061 5.731 -2.457 1.00 72.44 H new ATOM 1169 N GLU A 69 -0.751 10.027 -5.350 1.00 60.43 N ATOM 1170 CA GLU A 69 -1.186 11.365 -5.801 1.00 75.40 C ATOM 1171 C GLU A 69 -2.641 11.333 -6.315 1.00 32.55 C ATOM 1172 O GLU A 69 -3.358 12.341 -6.215 1.00 2.20 O ATOM 1173 CB GLU A 69 -0.221 11.919 -6.888 1.00 70.31 C ATOM 1174 CG GLU A 69 -0.203 11.126 -8.207 1.00 12.53 C ATOM 1175 CD GLU A 69 0.834 11.637 -9.216 1.00 23.20 C ATOM 1176 OE1 GLU A 69 2.002 11.196 -9.162 1.00 55.10 O ATOM 1177 OE2 GLU A 69 0.486 12.490 -10.070 1.00 60.12 O ATOM 0 H GLU A 69 -0.136 9.552 -6.010 1.00 60.43 H new ATOM 0 HA GLU A 69 -1.153 12.038 -4.944 1.00 75.40 H new ATOM 0 HB2 GLU A 69 -0.497 12.951 -7.106 1.00 70.31 H new ATOM 0 HB3 GLU A 69 0.789 11.939 -6.480 1.00 70.31 H new ATOM 0 HG2 GLU A 69 0.001 10.078 -7.988 1.00 12.53 H new ATOM 0 HG3 GLU A 69 -1.193 11.170 -8.662 1.00 12.53 H new ATOM 1184 N LEU A 70 -3.073 10.167 -6.860 1.00 3.43 N ATOM 1185 CA LEU A 70 -4.472 9.967 -7.290 1.00 55.33 C ATOM 1186 C LEU A 70 -5.421 9.882 -6.070 1.00 44.10 C ATOM 1187 O LEU A 70 -6.460 10.519 -6.070 1.00 3.22 O ATOM 1188 CB LEU A 70 -4.608 8.731 -8.222 1.00 2.53 C ATOM 1189 CG LEU A 70 -3.921 8.861 -9.627 1.00 33.11 C ATOM 1190 CD1 LEU A 70 -4.100 7.582 -10.471 1.00 75.52 C ATOM 1191 CD2 LEU A 70 -4.422 10.107 -10.393 1.00 23.31 C ATOM 0 H LEU A 70 -2.472 9.357 -7.010 1.00 3.43 H new ATOM 0 HA LEU A 70 -4.772 10.837 -7.874 1.00 55.33 H new ATOM 0 HB2 LEU A 70 -4.187 7.865 -7.711 1.00 2.53 H new ATOM 0 HB3 LEU A 70 -5.668 8.528 -8.373 1.00 2.53 H new ATOM 0 HG LEU A 70 -2.854 8.990 -9.448 1.00 33.11 H new ATOM 0 HD11 LEU A 70 -3.611 7.712 -11.436 1.00 75.52 H new ATOM 0 HD12 LEU A 70 -3.654 6.736 -9.948 1.00 75.52 H new ATOM 0 HD13 LEU A 70 -5.162 7.394 -10.625 1.00 75.52 H new ATOM 0 HD21 LEU A 70 -3.924 10.164 -11.361 1.00 23.31 H new ATOM 0 HD22 LEU A 70 -5.499 10.033 -10.543 1.00 23.31 H new ATOM 0 HD23 LEU A 70 -4.196 11.004 -9.816 1.00 23.31 H new ATOM 1203 N ILE A 71 -5.018 9.151 -5.015 1.00 0.35 N ATOM 1204 CA ILE A 71 -5.791 9.038 -3.742 1.00 22.14 C ATOM 1205 C ILE A 71 -5.870 10.416 -3.042 1.00 54.24 C ATOM 1206 O ILE A 71 -6.884 10.763 -2.412 1.00 10.31 O ATOM 1207 CB ILE A 71 -5.129 7.975 -2.779 1.00 53.33 C ATOM 1208 CG1 ILE A 71 -5.105 6.570 -3.448 1.00 14.43 C ATOM 1209 CG2 ILE A 71 -5.839 7.900 -1.403 1.00 21.40 C ATOM 1210 CD1 ILE A 71 -4.169 5.572 -2.789 1.00 51.13 C ATOM 0 H ILE A 71 -4.148 8.618 -5.010 1.00 0.35 H new ATOM 0 HA ILE A 71 -6.801 8.704 -3.981 1.00 22.14 H new ATOM 0 HB ILE A 71 -4.106 8.305 -2.599 1.00 53.33 H new ATOM 0 HG12 ILE A 71 -6.115 6.161 -3.440 1.00 14.43 H new ATOM 0 HG13 ILE A 71 -4.816 6.684 -4.493 1.00 14.43 H new ATOM 0 HG21 ILE A 71 -5.345 7.155 -0.779 1.00 21.40 H new ATOM 0 HG22 ILE A 71 -5.789 8.873 -0.914 1.00 21.40 H new ATOM 0 HG23 ILE A 71 -6.882 7.619 -1.547 1.00 21.40 H new ATOM 0 HD11 ILE A 71 -4.217 4.622 -3.321 1.00 51.13 H new ATOM 0 HD12 ILE A 71 -3.149 5.954 -2.821 1.00 51.13 H new ATOM 0 HD13 ILE A 71 -4.468 5.423 -1.752 1.00 51.13 H new ATOM 1222 N SER A 72 -4.793 11.204 -3.212 1.00 43.30 N ATOM 1223 CA SER A 72 -4.672 12.543 -2.627 1.00 54.51 C ATOM 1224 C SER A 72 -5.679 13.523 -3.272 1.00 2.32 C ATOM 1225 O SER A 72 -6.305 14.324 -2.570 1.00 2.03 O ATOM 1226 CB SER A 72 -3.219 13.062 -2.764 1.00 2.13 C ATOM 1227 OG SER A 72 -2.993 14.206 -1.958 1.00 41.24 O ATOM 0 H SER A 72 -3.981 10.925 -3.762 1.00 43.30 H new ATOM 0 HA SER A 72 -4.912 12.478 -1.566 1.00 54.51 H new ATOM 0 HB2 SER A 72 -2.522 12.273 -2.480 1.00 2.13 H new ATOM 0 HB3 SER A 72 -3.016 13.306 -3.807 1.00 2.13 H new ATOM 0 HG SER A 72 -2.066 14.506 -2.068 1.00 41.24 H new ATOM 1233 N LYS A 73 -5.845 13.435 -4.614 1.00 70.22 N ATOM 1234 CA LYS A 73 -6.819 14.281 -5.343 1.00 54.32 C ATOM 1235 C LYS A 73 -8.257 13.751 -5.157 1.00 12.53 C ATOM 1236 O LYS A 73 -9.216 14.520 -5.275 1.00 43.12 O ATOM 1237 CB LYS A 73 -6.464 14.400 -6.852 1.00 44.04 C ATOM 1238 CG LYS A 73 -6.660 13.109 -7.675 1.00 50.12 C ATOM 1239 CD LYS A 73 -6.255 13.240 -9.153 1.00 64.55 C ATOM 1240 CE LYS A 73 -7.044 14.327 -9.908 1.00 62.14 C ATOM 1241 NZ LYS A 73 -8.513 14.102 -9.853 1.00 62.33 N ATOM 0 H LYS A 73 -5.322 12.792 -5.209 1.00 70.22 H new ATOM 0 HA LYS A 73 -6.764 15.282 -4.915 1.00 54.32 H new ATOM 0 HB2 LYS A 73 -7.074 15.189 -7.292 1.00 44.04 H new ATOM 0 HB3 LYS A 73 -5.424 14.715 -6.941 1.00 44.04 H new ATOM 0 HG2 LYS A 73 -6.078 12.308 -7.219 1.00 50.12 H new ATOM 0 HG3 LYS A 73 -7.707 12.812 -7.621 1.00 50.12 H new ATOM 0 HD2 LYS A 73 -5.190 13.467 -9.212 1.00 64.55 H new ATOM 0 HD3 LYS A 73 -6.405 12.281 -9.650 1.00 64.55 H new ATOM 0 HE2 LYS A 73 -6.812 15.303 -9.481 1.00 62.14 H new ATOM 0 HE3 LYS A 73 -6.721 14.350 -10.949 1.00 62.14 H new ATOM 0 HZ1 LYS A 73 -8.996 14.819 -10.431 1.00 62.33 H new ATOM 0 HZ2 LYS A 73 -8.733 13.155 -10.222 1.00 62.33 H new ATOM 0 HZ3 LYS A 73 -8.839 14.174 -8.868 1.00 62.33 H new ATOM 1255 N LEU A 74 -8.399 12.433 -4.862 1.00 25.33 N ATOM 1256 CA LEU A 74 -9.696 11.835 -4.451 1.00 45.34 C ATOM 1257 C LEU A 74 -10.116 12.389 -3.071 1.00 51.21 C ATOM 1258 O LEU A 74 -11.308 12.444 -2.743 1.00 1.52 O ATOM 1259 CB LEU A 74 -9.621 10.280 -4.378 1.00 4.05 C ATOM 1260 CG LEU A 74 -9.302 9.510 -5.698 1.00 43.21 C ATOM 1261 CD1 LEU A 74 -9.198 7.992 -5.443 1.00 52.13 C ATOM 1262 CD2 LEU A 74 -10.311 9.833 -6.809 1.00 74.22 C ATOM 0 H LEU A 74 -7.630 11.764 -4.901 1.00 25.33 H new ATOM 0 HA LEU A 74 -10.435 12.105 -5.206 1.00 45.34 H new ATOM 0 HB2 LEU A 74 -8.862 10.014 -3.642 1.00 4.05 H new ATOM 0 HB3 LEU A 74 -10.575 9.915 -3.998 1.00 4.05 H new ATOM 0 HG LEU A 74 -8.329 9.853 -6.050 1.00 43.21 H new ATOM 0 HD11 LEU A 74 -8.975 7.480 -6.379 1.00 52.13 H new ATOM 0 HD12 LEU A 74 -8.402 7.797 -4.725 1.00 52.13 H new ATOM 0 HD13 LEU A 74 -10.144 7.624 -5.045 1.00 52.13 H new ATOM 0 HD21 LEU A 74 -10.052 9.276 -7.709 1.00 74.22 H new ATOM 0 HD22 LEU A 74 -11.313 9.551 -6.484 1.00 74.22 H new ATOM 0 HD23 LEU A 74 -10.286 10.901 -7.024 1.00 74.22 H new ATOM 1274 N GLY A 75 -9.104 12.760 -2.262 1.00 12.14 N ATOM 1275 CA GLY A 75 -9.307 13.444 -0.982 1.00 2.22 C ATOM 1276 C GLY A 75 -9.341 12.495 0.206 1.00 14.12 C ATOM 1277 O GLY A 75 -9.925 12.815 1.244 1.00 1.14 O ATOM 0 H GLY A 75 -8.123 12.591 -2.484 1.00 12.14 H new ATOM 0 HA2 GLY A 75 -8.508 14.171 -0.835 1.00 2.22 H new ATOM 0 HA3 GLY A 75 -10.243 14.002 -1.020 1.00 2.22 H new ATOM 1281 N TYR A 76 -8.728 11.312 0.042 1.00 71.34 N ATOM 1282 CA TYR A 76 -8.683 10.260 1.082 1.00 1.24 C ATOM 1283 C TYR A 76 -7.328 10.265 1.817 1.00 52.33 C ATOM 1284 O TYR A 76 -6.391 10.952 1.393 1.00 10.13 O ATOM 1285 CB TYR A 76 -8.903 8.877 0.424 1.00 55.00 C ATOM 1286 CG TYR A 76 -10.161 8.738 -0.451 1.00 61.21 C ATOM 1287 CD1 TYR A 76 -11.357 9.395 -0.137 1.00 41.20 C ATOM 1288 CD2 TYR A 76 -10.159 7.907 -1.578 1.00 72.12 C ATOM 1289 CE1 TYR A 76 -12.486 9.237 -0.919 1.00 62.23 C ATOM 1290 CE2 TYR A 76 -11.285 7.752 -2.359 1.00 33.13 C ATOM 1291 CZ TYR A 76 -12.446 8.411 -2.025 1.00 44.10 C ATOM 1292 OH TYR A 76 -13.572 8.247 -2.795 1.00 61.03 O ATOM 0 H TYR A 76 -8.246 11.053 -0.819 1.00 71.34 H new ATOM 0 HA TYR A 76 -9.471 10.460 1.808 1.00 1.24 H new ATOM 0 HB2 TYR A 76 -8.031 8.646 -0.188 1.00 55.00 H new ATOM 0 HB3 TYR A 76 -8.948 8.125 1.212 1.00 55.00 H new ATOM 0 HD1 TYR A 76 -11.398 10.036 0.731 1.00 41.20 H new ATOM 0 HD2 TYR A 76 -9.256 7.376 -1.841 1.00 72.12 H new ATOM 0 HE1 TYR A 76 -13.397 9.758 -0.666 1.00 62.23 H new ATOM 0 HE2 TYR A 76 -11.256 7.115 -3.231 1.00 33.13 H new ATOM 0 HH TYR A 76 -13.700 7.295 -2.988 1.00 61.03 H new ATOM 1302 N LYS A 77 -7.232 9.483 2.923 1.00 35.32 N ATOM 1303 CA LYS A 77 -5.944 9.227 3.599 1.00 24.41 C ATOM 1304 C LYS A 77 -5.062 8.348 2.707 1.00 33.53 C ATOM 1305 O LYS A 77 -5.503 7.301 2.208 1.00 4.04 O ATOM 1306 CB LYS A 77 -6.113 8.575 5.017 1.00 3.02 C ATOM 1307 CG LYS A 77 -4.865 7.762 5.524 1.00 42.35 C ATOM 1308 CD LYS A 77 -4.847 7.484 7.047 1.00 11.12 C ATOM 1309 CE LYS A 77 -4.544 8.741 7.873 1.00 70.13 C ATOM 1310 NZ LYS A 77 -3.192 9.282 7.582 1.00 12.31 N ATOM 0 H LYS A 77 -8.030 9.023 3.360 1.00 35.32 H new ATOM 0 HA LYS A 77 -5.466 10.193 3.761 1.00 24.41 H new ATOM 0 HB2 LYS A 77 -6.334 9.361 5.739 1.00 3.02 H new ATOM 0 HB3 LYS A 77 -6.977 7.911 4.995 1.00 3.02 H new ATOM 0 HG2 LYS A 77 -4.830 6.810 4.995 1.00 42.35 H new ATOM 0 HG3 LYS A 77 -3.960 8.309 5.258 1.00 42.35 H new ATOM 0 HD2 LYS A 77 -5.812 7.079 7.350 1.00 11.12 H new ATOM 0 HD3 LYS A 77 -4.099 6.722 7.265 1.00 11.12 H new ATOM 0 HE2 LYS A 77 -5.293 9.504 7.662 1.00 70.13 H new ATOM 0 HE3 LYS A 77 -4.620 8.505 8.934 1.00 70.13 H new ATOM 0 HZ1 LYS A 77 -2.958 10.022 8.274 1.00 12.31 H new ATOM 0 HZ2 LYS A 77 -2.491 8.516 7.644 1.00 12.31 H new ATOM 0 HZ3 LYS A 77 -3.179 9.687 6.624 1.00 12.31 H new ATOM 1324 N VAL A 78 -3.829 8.814 2.496 1.00 1.30 N ATOM 1325 CA VAL A 78 -2.798 8.073 1.784 1.00 53.22 C ATOM 1326 C VAL A 78 -1.841 7.431 2.807 1.00 21.44 C ATOM 1327 O VAL A 78 -1.079 8.133 3.491 1.00 23.31 O ATOM 1328 CB VAL A 78 -1.995 9.000 0.805 1.00 5.12 C ATOM 1329 CG1 VAL A 78 -1.005 8.173 -0.034 1.00 41.01 C ATOM 1330 CG2 VAL A 78 -2.941 9.830 -0.096 1.00 14.21 C ATOM 0 H VAL A 78 -3.519 9.730 2.821 1.00 1.30 H new ATOM 0 HA VAL A 78 -3.279 7.300 1.185 1.00 53.22 H new ATOM 0 HB VAL A 78 -1.423 9.707 1.406 1.00 5.12 H new ATOM 0 HG11 VAL A 78 -0.458 8.833 -0.707 1.00 41.01 H new ATOM 0 HG12 VAL A 78 -0.303 7.666 0.627 1.00 41.01 H new ATOM 0 HG13 VAL A 78 -1.552 7.433 -0.618 1.00 41.01 H new ATOM 0 HG21 VAL A 78 -2.350 10.460 -0.761 1.00 14.21 H new ATOM 0 HG22 VAL A 78 -3.561 9.158 -0.689 1.00 14.21 H new ATOM 0 HG23 VAL A 78 -3.579 10.457 0.527 1.00 14.21 H new ATOM 1340 N PHE A 79 -1.930 6.104 2.937 1.00 30.35 N ATOM 1341 CA PHE A 79 -1.006 5.288 3.737 1.00 55.34 C ATOM 1342 C PHE A 79 -0.242 4.355 2.778 1.00 51.02 C ATOM 1343 O PHE A 79 -0.833 3.763 1.863 1.00 42.43 O ATOM 1344 CB PHE A 79 -1.796 4.486 4.817 1.00 3.35 C ATOM 1345 CG PHE A 79 -0.949 3.685 5.816 1.00 42.23 C ATOM 1346 CD1 PHE A 79 -0.418 2.438 5.483 1.00 2.44 C ATOM 1347 CD2 PHE A 79 -0.703 4.170 7.100 1.00 24.23 C ATOM 1348 CE1 PHE A 79 0.327 1.712 6.386 1.00 44.14 C ATOM 1349 CE2 PHE A 79 0.045 3.442 8.006 1.00 4.43 C ATOM 1350 CZ PHE A 79 0.558 2.215 7.649 1.00 24.01 C ATOM 0 H PHE A 79 -2.659 5.555 2.482 1.00 30.35 H new ATOM 0 HA PHE A 79 -0.292 5.918 4.267 1.00 55.34 H new ATOM 0 HB2 PHE A 79 -2.418 5.185 5.377 1.00 3.35 H new ATOM 0 HB3 PHE A 79 -2.470 3.797 4.308 1.00 3.35 H new ATOM 0 HD1 PHE A 79 -0.595 2.034 4.497 1.00 2.44 H new ATOM 0 HD2 PHE A 79 -1.103 5.130 7.391 1.00 24.23 H new ATOM 0 HE1 PHE A 79 0.730 0.750 6.105 1.00 44.14 H new ATOM 0 HE2 PHE A 79 0.227 3.836 8.995 1.00 4.43 H new ATOM 0 HZ PHE A 79 1.141 1.647 8.358 1.00 24.01 H new ATOM 1360 N LEU A 80 1.061 4.227 3.000 1.00 32.13 N ATOM 1361 CA LEU A 80 1.963 3.421 2.181 1.00 43.04 C ATOM 1362 C LEU A 80 2.807 2.527 3.107 1.00 73.33 C ATOM 1363 O LEU A 80 3.063 2.871 4.267 1.00 42.00 O ATOM 1364 CB LEU A 80 2.862 4.341 1.293 1.00 63.24 C ATOM 1365 CG LEU A 80 3.867 3.623 0.326 1.00 35.02 C ATOM 1366 CD1 LEU A 80 3.134 2.728 -0.681 1.00 33.01 C ATOM 1367 CD2 LEU A 80 4.782 4.632 -0.398 1.00 13.20 C ATOM 0 H LEU A 80 1.533 4.693 3.775 1.00 32.13 H new ATOM 0 HA LEU A 80 1.389 2.786 1.507 1.00 43.04 H new ATOM 0 HB2 LEU A 80 2.211 4.978 0.695 1.00 63.24 H new ATOM 0 HB3 LEU A 80 3.432 4.997 1.951 1.00 63.24 H new ATOM 0 HG LEU A 80 4.502 2.985 0.941 1.00 35.02 H new ATOM 0 HD11 LEU A 80 3.860 2.246 -1.335 1.00 33.01 H new ATOM 0 HD12 LEU A 80 2.567 1.967 -0.146 1.00 33.01 H new ATOM 0 HD13 LEU A 80 2.453 3.334 -1.279 1.00 33.01 H new ATOM 0 HD21 LEU A 80 5.464 4.096 -1.058 1.00 13.20 H new ATOM 0 HD22 LEU A 80 4.173 5.319 -0.985 1.00 13.20 H new ATOM 0 HD23 LEU A 80 5.357 5.195 0.338 1.00 13.20 H new ATOM 1379 N LEU A 81 3.175 1.362 2.598 1.00 32.24 N ATOM 1380 CA LEU A 81 4.042 0.383 3.247 1.00 62.12 C ATOM 1381 C LEU A 81 4.980 -0.148 2.166 1.00 23.11 C ATOM 1382 O LEU A 81 4.535 -0.408 1.044 1.00 43.43 O ATOM 1383 CB LEU A 81 3.199 -0.775 3.873 1.00 73.43 C ATOM 1384 CG LEU A 81 4.004 -1.992 4.454 1.00 61.43 C ATOM 1385 CD1 LEU A 81 5.015 -1.544 5.531 1.00 51.11 C ATOM 1386 CD2 LEU A 81 3.060 -3.096 4.992 1.00 51.22 C ATOM 0 H LEU A 81 2.864 1.056 1.676 1.00 32.24 H new ATOM 0 HA LEU A 81 4.605 0.836 4.063 1.00 62.12 H new ATOM 0 HB2 LEU A 81 2.587 -0.358 4.673 1.00 73.43 H new ATOM 0 HB3 LEU A 81 2.516 -1.150 3.111 1.00 73.43 H new ATOM 0 HG LEU A 81 4.574 -2.422 3.630 1.00 61.43 H new ATOM 0 HD11 LEU A 81 5.553 -2.413 5.909 1.00 51.11 H new ATOM 0 HD12 LEU A 81 5.724 -0.840 5.094 1.00 51.11 H new ATOM 0 HD13 LEU A 81 4.483 -1.061 6.351 1.00 51.11 H new ATOM 0 HD21 LEU A 81 3.653 -3.922 5.386 1.00 51.22 H new ATOM 0 HD22 LEU A 81 2.436 -2.686 5.786 1.00 51.22 H new ATOM 0 HD23 LEU A 81 2.426 -3.458 4.183 1.00 51.22 H new ATOM 1398 N LEU A 82 6.274 -0.260 2.476 1.00 32.32 N ATOM 1399 CA LEU A 82 7.262 -0.850 1.564 1.00 74.30 C ATOM 1400 C LEU A 82 8.208 -1.794 2.322 1.00 73.34 C ATOM 1401 O LEU A 82 8.572 -1.536 3.481 1.00 44.12 O ATOM 1402 CB LEU A 82 8.016 0.260 0.737 1.00 5.13 C ATOM 1403 CG LEU A 82 8.331 1.633 1.443 1.00 41.52 C ATOM 1404 CD1 LEU A 82 9.356 1.511 2.579 1.00 74.04 C ATOM 1405 CD2 LEU A 82 8.789 2.691 0.420 1.00 3.22 C ATOM 0 H LEU A 82 6.667 0.054 3.363 1.00 32.32 H new ATOM 0 HA LEU A 82 6.738 -1.462 0.830 1.00 74.30 H new ATOM 0 HB2 LEU A 82 8.961 -0.163 0.397 1.00 5.13 H new ATOM 0 HB3 LEU A 82 7.423 0.472 -0.153 1.00 5.13 H new ATOM 0 HG LEU A 82 7.395 1.957 1.898 1.00 41.52 H new ATOM 0 HD11 LEU A 82 9.527 2.492 3.022 1.00 74.04 H new ATOM 0 HD12 LEU A 82 8.976 0.830 3.341 1.00 74.04 H new ATOM 0 HD13 LEU A 82 10.294 1.124 2.182 1.00 74.04 H new ATOM 0 HD21 LEU A 82 8.999 3.628 0.935 1.00 3.22 H new ATOM 0 HD22 LEU A 82 9.691 2.343 -0.084 1.00 3.22 H new ATOM 0 HD23 LEU A 82 8.001 2.851 -0.316 1.00 3.22 H new ATOM 1417 N GLN A 83 8.566 -2.904 1.654 1.00 43.35 N ATOM 1418 CA GLN A 83 9.477 -3.925 2.176 1.00 35.15 C ATOM 1419 C GLN A 83 10.348 -4.448 1.034 1.00 33.14 C ATOM 1420 O GLN A 83 9.908 -4.518 -0.124 1.00 4.13 O ATOM 1421 CB GLN A 83 8.707 -5.102 2.875 1.00 75.20 C ATOM 1422 CG GLN A 83 8.120 -6.218 1.972 1.00 24.44 C ATOM 1423 CD GLN A 83 9.124 -7.319 1.532 1.00 13.33 C ATOM 1424 OE1 GLN A 83 9.008 -7.882 0.441 1.00 22.02 O ATOM 1425 NE2 GLN A 83 10.082 -7.654 2.391 1.00 20.55 N ATOM 0 H GLN A 83 8.221 -3.116 0.718 1.00 43.35 H new ATOM 0 HA GLN A 83 10.106 -3.468 2.940 1.00 35.15 H new ATOM 0 HB2 GLN A 83 9.386 -5.570 3.588 1.00 75.20 H new ATOM 0 HB3 GLN A 83 7.888 -4.671 3.451 1.00 75.20 H new ATOM 0 HG2 GLN A 83 7.295 -6.694 2.502 1.00 24.44 H new ATOM 0 HG3 GLN A 83 7.700 -5.755 1.079 1.00 24.44 H new ATOM 0 HE21 GLN A 83 10.155 -7.172 3.287 1.00 20.55 H new ATOM 0 HE22 GLN A 83 10.744 -8.393 2.154 1.00 20.55 H new ATOM 1434 N ASP A 84 11.578 -4.791 1.392 1.00 75.44 N ATOM 1435 CA ASP A 84 12.519 -5.552 0.564 1.00 70.23 C ATOM 1436 C ASP A 84 13.538 -6.200 1.497 1.00 2.44 C ATOM 1437 O ASP A 84 13.649 -5.827 2.677 1.00 61.42 O ATOM 1438 CB ASP A 84 13.267 -4.671 -0.495 1.00 64.22 C ATOM 1439 CG ASP A 84 12.465 -4.358 -1.769 1.00 11.11 C ATOM 1440 OD1 ASP A 84 11.962 -5.308 -2.415 1.00 41.21 O ATOM 1441 OD2 ASP A 84 12.363 -3.169 -2.155 1.00 24.35 O ATOM 0 H ASP A 84 11.968 -4.540 2.301 1.00 75.44 H new ATOM 0 HA ASP A 84 11.952 -6.292 -0.000 1.00 70.23 H new ATOM 0 HB2 ASP A 84 13.553 -3.730 -0.025 1.00 64.22 H new ATOM 0 HB3 ASP A 84 14.189 -5.178 -0.780 1.00 64.22 H new ATOM 1446 N GLN A 85 14.287 -7.165 0.961 1.00 73.22 N ATOM 1447 CA GLN A 85 15.476 -7.712 1.636 1.00 61.45 C ATOM 1448 C GLN A 85 16.644 -6.708 1.529 1.00 43.30 C ATOM 1449 O GLN A 85 17.632 -6.802 2.260 1.00 22.40 O ATOM 1450 CB GLN A 85 15.848 -9.094 1.046 1.00 13.20 C ATOM 1451 CG GLN A 85 14.736 -10.162 1.206 1.00 52.22 C ATOM 1452 CD GLN A 85 15.131 -11.566 0.722 1.00 71.35 C ATOM 1453 OE1 GLN A 85 16.303 -11.947 0.742 1.00 1.34 O ATOM 1454 NE2 GLN A 85 14.151 -12.360 0.323 1.00 32.35 N ATOM 0 H GLN A 85 14.093 -7.590 0.054 1.00 73.22 H new ATOM 0 HA GLN A 85 15.256 -7.862 2.693 1.00 61.45 H new ATOM 0 HB2 GLN A 85 16.077 -8.977 -0.013 1.00 13.20 H new ATOM 0 HB3 GLN A 85 16.756 -9.453 1.530 1.00 13.20 H new ATOM 0 HG2 GLN A 85 14.453 -10.219 2.257 1.00 52.22 H new ATOM 0 HG3 GLN A 85 13.854 -9.836 0.655 1.00 52.22 H new ATOM 0 HE21 GLN A 85 13.190 -12.020 0.316 1.00 32.35 H new ATOM 0 HE22 GLN A 85 14.357 -13.313 0.022 1.00 32.35 H new ATOM 1463 N ASP A 86 16.513 -5.747 0.588 1.00 12.41 N ATOM 1464 CA ASP A 86 17.415 -4.594 0.451 1.00 4.51 C ATOM 1465 C ASP A 86 16.699 -3.341 1.011 1.00 63.22 C ATOM 1466 O ASP A 86 15.752 -2.833 0.404 1.00 50.13 O ATOM 1467 CB ASP A 86 17.810 -4.382 -1.039 1.00 10.04 C ATOM 1468 CG ASP A 86 18.980 -3.385 -1.207 1.00 63.23 C ATOM 1469 OD1 ASP A 86 18.780 -2.164 -1.036 1.00 54.33 O ATOM 1470 OD2 ASP A 86 20.115 -3.824 -1.496 1.00 74.20 O ATOM 0 H ASP A 86 15.765 -5.756 -0.105 1.00 12.41 H new ATOM 0 HA ASP A 86 18.332 -4.774 1.012 1.00 4.51 H new ATOM 0 HB2 ASP A 86 18.088 -5.340 -1.477 1.00 10.04 H new ATOM 0 HB3 ASP A 86 16.944 -4.018 -1.592 1.00 10.04 H new ATOM 1475 N GLU A 87 17.171 -2.860 2.166 1.00 22.10 N ATOM 1476 CA GLU A 87 16.553 -1.738 2.903 1.00 44.31 C ATOM 1477 C GLU A 87 16.845 -0.371 2.230 1.00 1.20 C ATOM 1478 O GLU A 87 16.084 0.596 2.408 1.00 33.34 O ATOM 1479 CB GLU A 87 17.055 -1.759 4.372 1.00 60.41 C ATOM 1480 CG GLU A 87 16.387 -0.718 5.292 1.00 42.45 C ATOM 1481 CD GLU A 87 16.939 -0.719 6.724 1.00 50.55 C ATOM 1482 OE1 GLU A 87 18.083 -0.254 6.926 1.00 13.34 O ATOM 1483 OE2 GLU A 87 16.237 -1.172 7.653 1.00 54.13 O ATOM 0 H GLU A 87 18.000 -3.238 2.625 1.00 22.10 H new ATOM 0 HA GLU A 87 15.470 -1.864 2.887 1.00 44.31 H new ATOM 0 HB2 GLU A 87 16.885 -2.753 4.786 1.00 60.41 H new ATOM 0 HB3 GLU A 87 18.132 -1.591 4.377 1.00 60.41 H new ATOM 0 HG2 GLU A 87 16.520 0.274 4.861 1.00 42.45 H new ATOM 0 HG3 GLU A 87 15.314 -0.910 5.325 1.00 42.45 H new ATOM 1490 N ASN A 88 17.917 -0.306 1.412 1.00 74.40 N ATOM 1491 CA ASN A 88 18.348 0.951 0.759 1.00 4.42 C ATOM 1492 C ASN A 88 17.427 1.317 -0.419 1.00 74.51 C ATOM 1493 O ASN A 88 17.262 2.505 -0.725 1.00 3.40 O ATOM 1494 CB ASN A 88 19.829 0.870 0.317 1.00 55.32 C ATOM 1495 CG ASN A 88 20.794 0.888 1.510 1.00 55.43 C ATOM 1496 OD1 ASN A 88 21.163 -0.159 2.045 1.00 44.11 O ATOM 1497 ND2 ASN A 88 21.190 2.079 1.956 1.00 43.21 N ATOM 0 H ASN A 88 18.502 -1.111 1.187 1.00 74.40 H new ATOM 0 HA ASN A 88 18.267 1.751 1.494 1.00 4.42 H new ATOM 0 HB2 ASN A 88 19.985 -0.042 -0.260 1.00 55.32 H new ATOM 0 HB3 ASN A 88 20.055 1.707 -0.343 1.00 55.32 H new ATOM 0 HD21 ASN A 88 21.815 2.141 2.760 1.00 43.21 H new ATOM 0 HD22 ASN A 88 20.869 2.929 1.493 1.00 43.21 H new ATOM 1504 N GLU A 89 16.812 0.288 -1.052 1.00 30.43 N ATOM 1505 CA GLU A 89 15.735 0.478 -2.059 1.00 13.05 C ATOM 1506 C GLU A 89 14.540 1.235 -1.453 1.00 63.55 C ATOM 1507 O GLU A 89 13.889 2.052 -2.114 1.00 12.35 O ATOM 1508 CB GLU A 89 15.229 -0.894 -2.592 1.00 20.53 C ATOM 1509 CG GLU A 89 16.287 -1.725 -3.334 1.00 2.15 C ATOM 1510 CD GLU A 89 16.837 -1.035 -4.594 1.00 61.41 C ATOM 1511 OE1 GLU A 89 16.144 -1.040 -5.635 1.00 32.54 O ATOM 1512 OE2 GLU A 89 17.954 -0.471 -4.548 1.00 24.45 O ATOM 0 H GLU A 89 17.045 -0.690 -0.882 1.00 30.43 H new ATOM 0 HA GLU A 89 16.159 1.059 -2.878 1.00 13.05 H new ATOM 0 HB2 GLU A 89 14.852 -1.478 -1.752 1.00 20.53 H new ATOM 0 HB3 GLU A 89 14.388 -0.720 -3.263 1.00 20.53 H new ATOM 0 HG2 GLU A 89 17.113 -1.936 -2.655 1.00 2.15 H new ATOM 0 HG3 GLU A 89 15.852 -2.684 -3.615 1.00 2.15 H new ATOM 1519 N LEU A 90 14.289 0.935 -0.178 1.00 32.24 N ATOM 1520 CA LEU A 90 13.117 1.411 0.558 1.00 52.14 C ATOM 1521 C LEU A 90 13.257 2.883 0.948 1.00 21.03 C ATOM 1522 O LEU A 90 12.371 3.678 0.668 1.00 11.31 O ATOM 1523 CB LEU A 90 12.915 0.527 1.812 1.00 44.22 C ATOM 1524 CG LEU A 90 12.761 -0.994 1.528 1.00 62.14 C ATOM 1525 CD1 LEU A 90 12.586 -1.793 2.835 1.00 15.44 C ATOM 1526 CD2 LEU A 90 11.609 -1.241 0.536 1.00 31.51 C ATOM 0 H LEU A 90 14.905 0.345 0.381 1.00 32.24 H new ATOM 0 HA LEU A 90 12.242 1.335 -0.088 1.00 52.14 H new ATOM 0 HB2 LEU A 90 13.764 0.672 2.480 1.00 44.22 H new ATOM 0 HB3 LEU A 90 12.028 0.873 2.343 1.00 44.22 H new ATOM 0 HG LEU A 90 13.679 -1.355 1.063 1.00 62.14 H new ATOM 0 HD11 LEU A 90 12.481 -2.853 2.602 1.00 15.44 H new ATOM 0 HD12 LEU A 90 13.459 -1.646 3.471 1.00 15.44 H new ATOM 0 HD13 LEU A 90 11.694 -1.446 3.357 1.00 15.44 H new ATOM 0 HD21 LEU A 90 11.514 -2.310 0.348 1.00 31.51 H new ATOM 0 HD22 LEU A 90 10.678 -0.863 0.958 1.00 31.51 H new ATOM 0 HD23 LEU A 90 11.819 -0.725 -0.401 1.00 31.51 H new ATOM 1538 N GLU A 91 14.404 3.224 1.557 1.00 53.14 N ATOM 1539 CA GLU A 91 14.634 4.547 2.174 1.00 72.05 C ATOM 1540 C GLU A 91 14.846 5.671 1.144 1.00 61.40 C ATOM 1541 O GLU A 91 14.531 6.831 1.445 1.00 53.10 O ATOM 1542 CB GLU A 91 15.817 4.465 3.171 1.00 13.21 C ATOM 1543 CG GLU A 91 17.142 3.918 2.605 1.00 45.45 C ATOM 1544 CD GLU A 91 18.129 3.454 3.698 1.00 13.13 C ATOM 1545 OE1 GLU A 91 17.708 2.675 4.585 1.00 32.11 O ATOM 1546 OE2 GLU A 91 19.308 3.879 3.692 1.00 13.42 O ATOM 0 H GLU A 91 15.201 2.592 1.637 1.00 53.14 H new ATOM 0 HA GLU A 91 13.725 4.813 2.714 1.00 72.05 H new ATOM 0 HB2 GLU A 91 16.000 5.463 3.570 1.00 13.21 H new ATOM 0 HB3 GLU A 91 15.516 3.837 4.010 1.00 13.21 H new ATOM 0 HG2 GLU A 91 16.927 3.081 1.941 1.00 45.45 H new ATOM 0 HG3 GLU A 91 17.617 4.691 2.001 1.00 45.45 H new ATOM 1553 N GLU A 92 15.362 5.340 -0.059 1.00 3.25 N ATOM 1554 CA GLU A 92 15.543 6.335 -1.140 1.00 33.33 C ATOM 1555 C GLU A 92 14.178 6.770 -1.719 1.00 31.52 C ATOM 1556 O GLU A 92 13.974 7.947 -2.035 1.00 11.13 O ATOM 1557 CB GLU A 92 16.467 5.781 -2.258 1.00 34.54 C ATOM 1558 CG GLU A 92 15.955 4.497 -2.942 1.00 42.13 C ATOM 1559 CD GLU A 92 16.880 3.974 -4.049 1.00 53.32 C ATOM 1560 OE1 GLU A 92 18.026 3.595 -3.743 1.00 21.11 O ATOM 1561 OE2 GLU A 92 16.459 3.923 -5.226 1.00 71.00 O ATOM 0 H GLU A 92 15.660 4.396 -0.306 1.00 3.25 H new ATOM 0 HA GLU A 92 16.025 7.213 -0.712 1.00 33.33 H new ATOM 0 HB2 GLU A 92 16.599 6.552 -3.017 1.00 34.54 H new ATOM 0 HB3 GLU A 92 17.450 5.582 -1.832 1.00 34.54 H new ATOM 0 HG2 GLU A 92 15.831 3.720 -2.188 1.00 42.13 H new ATOM 0 HG3 GLU A 92 14.970 4.690 -3.366 1.00 42.13 H new ATOM 1568 N PHE A 93 13.252 5.805 -1.868 1.00 21.21 N ATOM 1569 CA PHE A 93 11.872 6.086 -2.303 1.00 21.34 C ATOM 1570 C PHE A 93 11.079 6.744 -1.160 1.00 42.33 C ATOM 1571 O PHE A 93 10.368 7.718 -1.387 1.00 12.33 O ATOM 1572 CB PHE A 93 11.182 4.784 -2.787 1.00 33.21 C ATOM 1573 CG PHE A 93 9.760 4.968 -3.342 1.00 64.51 C ATOM 1574 CD1 PHE A 93 9.530 5.732 -4.491 1.00 55.05 C ATOM 1575 CD2 PHE A 93 8.655 4.378 -2.725 1.00 50.42 C ATOM 1576 CE1 PHE A 93 8.250 5.897 -4.993 1.00 50.04 C ATOM 1577 CE2 PHE A 93 7.380 4.545 -3.228 1.00 52.41 C ATOM 1578 CZ PHE A 93 7.176 5.299 -4.361 1.00 52.02 C ATOM 0 H PHE A 93 13.437 4.817 -1.692 1.00 21.21 H new ATOM 0 HA PHE A 93 11.900 6.782 -3.141 1.00 21.34 H new ATOM 0 HB2 PHE A 93 11.801 4.329 -3.560 1.00 33.21 H new ATOM 0 HB3 PHE A 93 11.143 4.081 -1.955 1.00 33.21 H new ATOM 0 HD1 PHE A 93 10.363 6.200 -4.994 1.00 55.05 H new ATOM 0 HD2 PHE A 93 8.800 3.780 -1.838 1.00 50.42 H new ATOM 0 HE1 PHE A 93 8.091 6.493 -5.879 1.00 50.04 H new ATOM 0 HE2 PHE A 93 6.540 4.082 -2.731 1.00 52.41 H new ATOM 0 HZ PHE A 93 6.178 5.423 -4.756 1.00 52.02 H new ATOM 1588 N LYS A 94 11.265 6.224 0.070 1.00 11.41 N ATOM 1589 CA LYS A 94 10.525 6.668 1.267 1.00 22.54 C ATOM 1590 C LYS A 94 10.764 8.159 1.559 1.00 4.32 C ATOM 1591 O LYS A 94 9.809 8.877 1.821 1.00 13.22 O ATOM 1592 CB LYS A 94 10.910 5.812 2.504 1.00 64.14 C ATOM 1593 CG LYS A 94 10.259 6.269 3.820 1.00 24.01 C ATOM 1594 CD LYS A 94 10.648 5.393 5.022 1.00 24.44 C ATOM 1595 CE LYS A 94 10.288 6.057 6.351 1.00 61.33 C ATOM 1596 NZ LYS A 94 8.834 6.358 6.459 1.00 54.53 N ATOM 0 H LYS A 94 11.936 5.480 0.261 1.00 11.41 H new ATOM 0 HA LYS A 94 9.463 6.530 1.061 1.00 22.54 H new ATOM 0 HB2 LYS A 94 10.630 4.776 2.315 1.00 64.14 H new ATOM 0 HB3 LYS A 94 11.993 5.833 2.622 1.00 64.14 H new ATOM 0 HG2 LYS A 94 10.547 7.301 4.022 1.00 24.01 H new ATOM 0 HG3 LYS A 94 9.175 6.257 3.705 1.00 24.01 H new ATOM 0 HD2 LYS A 94 10.142 4.430 4.948 1.00 24.44 H new ATOM 0 HD3 LYS A 94 11.719 5.193 4.994 1.00 24.44 H new ATOM 0 HE2 LYS A 94 10.583 5.404 7.172 1.00 61.33 H new ATOM 0 HE3 LYS A 94 10.857 6.981 6.458 1.00 61.33 H new ATOM 0 HZ1 LYS A 94 8.554 6.365 7.461 1.00 54.53 H new ATOM 0 HZ2 LYS A 94 8.640 7.289 6.039 1.00 54.53 H new ATOM 0 HZ3 LYS A 94 8.290 5.630 5.953 1.00 54.53 H new ATOM 1610 N ARG A 95 12.039 8.606 1.481 1.00 20.23 N ATOM 1611 CA ARG A 95 12.416 10.016 1.767 1.00 32.52 C ATOM 1612 C ARG A 95 11.741 11.000 0.787 1.00 70.51 C ATOM 1613 O ARG A 95 11.493 12.162 1.129 1.00 22.12 O ATOM 1614 CB ARG A 95 13.954 10.194 1.734 1.00 62.25 C ATOM 1615 CG ARG A 95 14.603 10.015 0.344 1.00 71.23 C ATOM 1616 CD ARG A 95 16.129 10.154 0.362 1.00 53.05 C ATOM 1617 NE ARG A 95 16.704 9.987 -0.986 1.00 50.23 N ATOM 1618 CZ ARG A 95 17.973 9.640 -1.250 1.00 71.53 C ATOM 1619 NH1 ARG A 95 18.836 9.400 -0.264 1.00 42.42 N ATOM 1620 NH2 ARG A 95 18.370 9.554 -2.511 1.00 45.21 N ATOM 0 H ARG A 95 12.827 8.012 1.222 1.00 20.23 H new ATOM 0 HA ARG A 95 12.058 10.248 2.770 1.00 32.52 H new ATOM 0 HB2 ARG A 95 14.197 11.189 2.106 1.00 62.25 H new ATOM 0 HB3 ARG A 95 14.402 9.478 2.422 1.00 62.25 H new ATOM 0 HG2 ARG A 95 14.340 9.033 -0.048 1.00 71.23 H new ATOM 0 HG3 ARG A 95 14.186 10.753 -0.341 1.00 71.23 H new ATOM 0 HD2 ARG A 95 16.401 11.133 0.756 1.00 53.05 H new ATOM 0 HD3 ARG A 95 16.555 9.410 1.035 1.00 53.05 H new ATOM 0 HE ARG A 95 16.087 10.148 -1.782 1.00 50.23 H new ATOM 0 HH11 ARG A 95 18.535 9.479 0.707 1.00 42.42 H new ATOM 0 HH12 ARG A 95 19.797 9.137 -0.480 1.00 42.42 H new ATOM 0 HH21 ARG A 95 17.714 9.751 -3.267 1.00 45.21 H new ATOM 0 HH22 ARG A 95 19.332 9.291 -2.726 1.00 45.21 H new ATOM 1634 N LYS A 96 11.447 10.511 -0.431 1.00 13.41 N ATOM 1635 CA LYS A 96 10.697 11.269 -1.444 1.00 54.14 C ATOM 1636 C LYS A 96 9.224 11.378 -1.032 1.00 42.33 C ATOM 1637 O LYS A 96 8.623 12.441 -1.147 1.00 2.54 O ATOM 1638 CB LYS A 96 10.807 10.580 -2.826 1.00 52.13 C ATOM 1639 CG LYS A 96 12.234 10.504 -3.399 1.00 12.32 C ATOM 1640 CD LYS A 96 12.831 11.896 -3.733 1.00 2.43 C ATOM 1641 CE LYS A 96 14.166 11.797 -4.486 1.00 34.42 C ATOM 1642 NZ LYS A 96 14.713 13.137 -4.840 1.00 13.52 N ATOM 0 H LYS A 96 11.724 9.579 -0.739 1.00 13.41 H new ATOM 0 HA LYS A 96 11.124 12.269 -1.517 1.00 54.14 H new ATOM 0 HB2 LYS A 96 10.409 9.568 -2.744 1.00 52.13 H new ATOM 0 HB3 LYS A 96 10.174 11.115 -3.534 1.00 52.13 H new ATOM 0 HG2 LYS A 96 12.881 10.001 -2.681 1.00 12.32 H new ATOM 0 HG3 LYS A 96 12.224 9.893 -4.302 1.00 12.32 H new ATOM 0 HD2 LYS A 96 12.118 12.459 -4.336 1.00 2.43 H new ATOM 0 HD3 LYS A 96 12.979 12.456 -2.809 1.00 2.43 H new ATOM 0 HE2 LYS A 96 14.889 11.262 -3.871 1.00 34.42 H new ATOM 0 HE3 LYS A 96 14.026 11.212 -5.395 1.00 34.42 H new ATOM 0 HZ1 LYS A 96 15.614 13.021 -5.347 1.00 13.52 H new ATOM 0 HZ2 LYS A 96 14.035 13.639 -5.449 1.00 13.52 H new ATOM 0 HZ3 LYS A 96 14.872 13.687 -3.972 1.00 13.52 H new ATOM 1656 N ILE A 97 8.674 10.257 -0.534 1.00 42.13 N ATOM 1657 CA ILE A 97 7.265 10.155 -0.105 1.00 62.34 C ATOM 1658 C ILE A 97 7.019 10.984 1.183 1.00 23.10 C ATOM 1659 O ILE A 97 5.920 11.515 1.380 1.00 70.42 O ATOM 1660 CB ILE A 97 6.844 8.640 0.078 1.00 34.54 C ATOM 1661 CG1 ILE A 97 7.207 7.798 -1.190 1.00 1.25 C ATOM 1662 CG2 ILE A 97 5.344 8.484 0.400 1.00 21.14 C ATOM 1663 CD1 ILE A 97 6.684 8.340 -2.517 1.00 10.22 C ATOM 0 H ILE A 97 9.197 9.389 -0.416 1.00 42.13 H new ATOM 0 HA ILE A 97 6.633 10.577 -0.887 1.00 62.34 H new ATOM 0 HB ILE A 97 7.408 8.262 0.931 1.00 34.54 H new ATOM 0 HG12 ILE A 97 8.292 7.720 -1.253 1.00 1.25 H new ATOM 0 HG13 ILE A 97 6.822 6.787 -1.055 1.00 1.25 H new ATOM 0 HG21 ILE A 97 5.105 7.427 0.516 1.00 21.14 H new ATOM 0 HG22 ILE A 97 5.114 9.012 1.325 1.00 21.14 H new ATOM 0 HG23 ILE A 97 4.752 8.903 -0.414 1.00 21.14 H new ATOM 0 HD11 ILE A 97 6.994 7.680 -3.327 1.00 10.22 H new ATOM 0 HD12 ILE A 97 5.596 8.390 -2.486 1.00 10.22 H new ATOM 0 HD13 ILE A 97 7.089 9.338 -2.687 1.00 10.22 H new ATOM 1675 N GLU A 98 8.067 11.109 2.033 1.00 23.43 N ATOM 1676 CA GLU A 98 8.088 12.064 3.165 1.00 42.11 C ATOM 1677 C GLU A 98 7.880 13.507 2.655 1.00 11.52 C ATOM 1678 O GLU A 98 7.056 14.257 3.186 1.00 30.14 O ATOM 1679 CB GLU A 98 9.446 12.009 3.923 1.00 34.41 C ATOM 1680 CG GLU A 98 9.851 10.641 4.513 1.00 65.32 C ATOM 1681 CD GLU A 98 8.899 10.111 5.593 1.00 54.34 C ATOM 1682 OE1 GLU A 98 8.760 10.765 6.647 1.00 44.24 O ATOM 1683 OE2 GLU A 98 8.296 9.038 5.405 1.00 34.03 O ATOM 0 H GLU A 98 8.918 10.552 1.953 1.00 23.43 H new ATOM 0 HA GLU A 98 7.282 11.781 3.842 1.00 42.11 H new ATOM 0 HB2 GLU A 98 10.231 12.332 3.240 1.00 34.41 H new ATOM 0 HB3 GLU A 98 9.413 12.735 4.736 1.00 34.41 H new ATOM 0 HG2 GLU A 98 9.906 9.912 3.705 1.00 65.32 H new ATOM 0 HG3 GLU A 98 10.852 10.723 4.937 1.00 65.32 H new ATOM 1690 N SER A 99 8.636 13.856 1.597 1.00 12.41 N ATOM 1691 CA SER A 99 8.640 15.201 0.996 1.00 43.22 C ATOM 1692 C SER A 99 7.311 15.508 0.275 1.00 22.41 C ATOM 1693 O SER A 99 6.885 16.666 0.218 1.00 61.31 O ATOM 1694 CB SER A 99 9.827 15.308 0.018 1.00 43.30 C ATOM 1695 OG SER A 99 11.055 14.982 0.658 1.00 23.11 O ATOM 0 H SER A 99 9.268 13.204 1.131 1.00 12.41 H new ATOM 0 HA SER A 99 8.748 15.939 1.791 1.00 43.22 H new ATOM 0 HB2 SER A 99 9.666 14.639 -0.827 1.00 43.30 H new ATOM 0 HB3 SER A 99 9.881 16.320 -0.383 1.00 43.30 H new ATOM 0 HG SER A 99 11.114 14.011 0.777 1.00 23.11 H new ATOM 1701 N GLN A 100 6.671 14.453 -0.271 1.00 55.34 N ATOM 1702 CA GLN A 100 5.322 14.540 -0.871 1.00 13.42 C ATOM 1703 C GLN A 100 4.257 14.673 0.240 1.00 34.31 C ATOM 1704 O GLN A 100 3.154 15.173 -0.001 1.00 11.41 O ATOM 1705 CB GLN A 100 5.037 13.292 -1.747 1.00 11.21 C ATOM 1706 CG GLN A 100 6.024 13.078 -2.913 1.00 11.34 C ATOM 1707 CD GLN A 100 5.818 11.756 -3.663 1.00 15.11 C ATOM 1708 OE1 GLN A 100 4.699 11.254 -3.791 1.00 1.44 O ATOM 1709 NE2 GLN A 100 6.901 11.165 -4.142 1.00 3.33 N ATOM 0 H GLN A 100 7.074 13.517 -0.309 1.00 55.34 H new ATOM 0 HA GLN A 100 5.278 15.424 -1.508 1.00 13.42 H new ATOM 0 HB2 GLN A 100 5.053 12.408 -1.110 1.00 11.21 H new ATOM 0 HB3 GLN A 100 4.029 13.374 -2.154 1.00 11.21 H new ATOM 0 HG2 GLN A 100 5.925 13.904 -3.617 1.00 11.34 H new ATOM 0 HG3 GLN A 100 7.042 13.110 -2.526 1.00 11.34 H new ATOM 0 HE21 GLN A 100 7.815 11.601 -4.023 1.00 3.33 H new ATOM 0 HE22 GLN A 100 6.821 10.273 -4.630 1.00 3.33 H new ATOM 1718 N GLY A 101 4.613 14.206 1.454 1.00 74.14 N ATOM 1719 CA GLY A 101 3.772 14.337 2.642 1.00 13.01 C ATOM 1720 C GLY A 101 2.747 13.221 2.766 1.00 31.12 C ATOM 1721 O GLY A 101 1.574 13.476 3.055 1.00 5.12 O ATOM 0 H GLY A 101 5.496 13.727 1.629 1.00 74.14 H new ATOM 0 HA2 GLY A 101 4.404 14.343 3.530 1.00 13.01 H new ATOM 0 HA3 GLY A 101 3.256 15.296 2.612 1.00 13.01 H new ATOM 1725 N TYR A 102 3.191 11.976 2.534 1.00 0.03 N ATOM 1726 CA TYR A 102 2.343 10.774 2.642 1.00 2.52 C ATOM 1727 C TYR A 102 2.887 9.851 3.738 1.00 32.13 C ATOM 1728 O TYR A 102 4.110 9.722 3.907 1.00 40.35 O ATOM 1729 CB TYR A 102 2.259 10.022 1.295 1.00 40.55 C ATOM 1730 CG TYR A 102 1.707 10.842 0.119 1.00 3.21 C ATOM 1731 CD1 TYR A 102 0.511 11.561 0.230 1.00 12.22 C ATOM 1732 CD2 TYR A 102 2.365 10.875 -1.110 1.00 34.42 C ATOM 1733 CE1 TYR A 102 0.000 12.267 -0.840 1.00 14.42 C ATOM 1734 CE2 TYR A 102 1.856 11.585 -2.177 1.00 3.13 C ATOM 1735 CZ TYR A 102 0.678 12.279 -2.042 1.00 0.32 C ATOM 1736 OH TYR A 102 0.176 12.990 -3.110 1.00 12.13 O ATOM 0 H TYR A 102 4.153 11.772 2.265 1.00 0.03 H new ATOM 0 HA TYR A 102 1.334 11.090 2.907 1.00 2.52 H new ATOM 0 HB2 TYR A 102 3.256 9.667 1.033 1.00 40.55 H new ATOM 0 HB3 TYR A 102 1.632 9.141 1.428 1.00 40.55 H new ATOM 0 HD1 TYR A 102 -0.021 11.563 1.170 1.00 12.22 H new ATOM 0 HD2 TYR A 102 3.292 10.334 -1.229 1.00 34.42 H new ATOM 0 HE1 TYR A 102 -0.928 12.809 -0.737 1.00 14.42 H new ATOM 0 HE2 TYR A 102 2.384 11.596 -3.119 1.00 3.13 H new ATOM 0 HH TYR A 102 0.776 12.893 -3.879 1.00 12.13 H new ATOM 1746 N GLU A 103 1.963 9.219 4.476 1.00 2.23 N ATOM 1747 CA GLU A 103 2.273 8.382 5.645 1.00 44.14 C ATOM 1748 C GLU A 103 2.765 6.984 5.207 1.00 31.22 C ATOM 1749 O GLU A 103 1.975 6.059 5.033 1.00 2.51 O ATOM 1750 CB GLU A 103 1.012 8.312 6.557 1.00 63.24 C ATOM 1751 CG GLU A 103 1.133 7.401 7.800 1.00 52.10 C ATOM 1752 CD GLU A 103 -0.081 7.472 8.735 1.00 13.54 C ATOM 1753 OE1 GLU A 103 -1.215 7.197 8.284 1.00 24.34 O ATOM 1754 OE2 GLU A 103 0.083 7.802 9.930 1.00 22.01 O ATOM 0 H GLU A 103 0.965 9.276 4.275 1.00 2.23 H new ATOM 0 HA GLU A 103 3.088 8.824 6.218 1.00 44.14 H new ATOM 0 HB2 GLU A 103 0.772 9.321 6.891 1.00 63.24 H new ATOM 0 HB3 GLU A 103 0.171 7.966 5.956 1.00 63.24 H new ATOM 0 HG2 GLU A 103 1.269 6.370 7.473 1.00 52.10 H new ATOM 0 HG3 GLU A 103 2.027 7.679 8.358 1.00 52.10 H new ATOM 1761 N VAL A 104 4.087 6.863 4.998 1.00 10.25 N ATOM 1762 CA VAL A 104 4.739 5.601 4.575 1.00 11.31 C ATOM 1763 C VAL A 104 5.508 4.953 5.745 1.00 1.34 C ATOM 1764 O VAL A 104 6.143 5.650 6.543 1.00 64.34 O ATOM 1765 CB VAL A 104 5.699 5.830 3.341 1.00 14.10 C ATOM 1766 CG1 VAL A 104 6.663 7.007 3.562 1.00 13.32 C ATOM 1767 CG2 VAL A 104 6.473 4.538 2.960 1.00 41.32 C ATOM 0 H VAL A 104 4.740 7.637 5.117 1.00 10.25 H new ATOM 0 HA VAL A 104 3.949 4.918 4.263 1.00 11.31 H new ATOM 0 HB VAL A 104 5.058 6.091 2.499 1.00 14.10 H new ATOM 0 HG11 VAL A 104 7.302 7.124 2.686 1.00 13.32 H new ATOM 0 HG12 VAL A 104 6.091 7.921 3.718 1.00 13.32 H new ATOM 0 HG13 VAL A 104 7.281 6.811 4.438 1.00 13.32 H new ATOM 0 HG21 VAL A 104 7.121 4.740 2.107 1.00 41.32 H new ATOM 0 HG22 VAL A 104 7.078 4.213 3.807 1.00 41.32 H new ATOM 0 HG23 VAL A 104 5.764 3.753 2.699 1.00 41.32 H new ATOM 1777 N ARG A 105 5.430 3.612 5.841 1.00 55.13 N ATOM 1778 CA ARG A 105 6.184 2.818 6.829 1.00 5.04 C ATOM 1779 C ARG A 105 7.243 1.975 6.107 1.00 11.44 C ATOM 1780 O ARG A 105 6.952 1.382 5.057 1.00 50.11 O ATOM 1781 CB ARG A 105 5.234 1.892 7.640 1.00 53.31 C ATOM 1782 CG ARG A 105 4.072 2.610 8.359 1.00 45.43 C ATOM 1783 CD ARG A 105 4.523 3.804 9.215 1.00 0.13 C ATOM 1784 NE ARG A 105 5.489 3.425 10.265 1.00 50.20 N ATOM 1785 CZ ARG A 105 5.988 4.267 11.192 1.00 74.25 C ATOM 1786 NH1 ARG A 105 5.625 5.544 11.223 1.00 2.22 N ATOM 1787 NH2 ARG A 105 6.835 3.820 12.105 1.00 23.41 N ATOM 0 H ARG A 105 4.839 3.046 5.232 1.00 55.13 H new ATOM 0 HA ARG A 105 6.670 3.501 7.526 1.00 5.04 H new ATOM 0 HB2 ARG A 105 4.816 1.146 6.964 1.00 53.31 H new ATOM 0 HB3 ARG A 105 5.823 1.355 8.383 1.00 53.31 H new ATOM 0 HG2 ARG A 105 3.355 2.957 7.615 1.00 45.43 H new ATOM 0 HG3 ARG A 105 3.551 1.894 8.995 1.00 45.43 H new ATOM 0 HD2 ARG A 105 4.973 4.558 8.569 1.00 0.13 H new ATOM 0 HD3 ARG A 105 3.650 4.262 9.680 1.00 0.13 H new ATOM 0 HE ARG A 105 5.802 2.455 10.291 1.00 50.20 H new ATOM 0 HH11 ARG A 105 4.959 5.902 10.538 1.00 2.22 H new ATOM 0 HH12 ARG A 105 6.012 6.167 11.931 1.00 2.22 H new ATOM 0 HH21 ARG A 105 7.111 2.838 12.108 1.00 23.41 H new ATOM 0 HH22 ARG A 105 7.212 4.457 12.806 1.00 23.41 H new ATOM 1801 N LYS A 106 8.467 1.933 6.666 1.00 35.30 N ATOM 1802 CA LYS A 106 9.563 1.089 6.152 1.00 75.40 C ATOM 1803 C LYS A 106 9.703 -0.150 7.032 1.00 41.51 C ATOM 1804 O LYS A 106 9.809 -0.020 8.256 1.00 22.42 O ATOM 1805 CB LYS A 106 10.918 1.845 6.147 1.00 22.13 C ATOM 1806 CG LYS A 106 12.088 1.048 5.498 1.00 10.43 C ATOM 1807 CD LYS A 106 13.489 1.461 6.007 1.00 3.53 C ATOM 1808 CE LYS A 106 13.801 2.952 5.841 1.00 23.34 C ATOM 1809 NZ LYS A 106 15.202 3.272 6.268 1.00 23.32 N ATOM 0 H LYS A 106 8.724 2.483 7.486 1.00 35.30 H new ATOM 0 HA LYS A 106 9.316 0.814 5.127 1.00 75.40 H new ATOM 0 HB2 LYS A 106 10.794 2.787 5.613 1.00 22.13 H new ATOM 0 HB3 LYS A 106 11.187 2.093 7.174 1.00 22.13 H new ATOM 0 HG2 LYS A 106 11.941 -0.015 5.691 1.00 10.43 H new ATOM 0 HG3 LYS A 106 12.051 1.184 4.417 1.00 10.43 H new ATOM 0 HD2 LYS A 106 13.572 1.199 7.062 1.00 3.53 H new ATOM 0 HD3 LYS A 106 14.243 0.882 5.474 1.00 3.53 H new ATOM 0 HE2 LYS A 106 13.663 3.240 4.799 1.00 23.34 H new ATOM 0 HE3 LYS A 106 13.097 3.540 6.430 1.00 23.34 H new ATOM 0 HZ1 LYS A 106 15.347 4.301 6.239 1.00 23.32 H new ATOM 0 HZ2 LYS A 106 15.357 2.927 7.237 1.00 23.32 H new ATOM 0 HZ3 LYS A 106 15.875 2.809 5.624 1.00 23.32 H new ATOM 1823 N VAL A 107 9.723 -1.341 6.414 1.00 62.44 N ATOM 1824 CA VAL A 107 9.958 -2.613 7.121 1.00 13.30 C ATOM 1825 C VAL A 107 10.941 -3.474 6.307 1.00 51.23 C ATOM 1826 O VAL A 107 10.935 -3.445 5.076 1.00 31.44 O ATOM 1827 CB VAL A 107 8.627 -3.404 7.413 1.00 34.44 C ATOM 1828 CG1 VAL A 107 7.674 -2.588 8.316 1.00 21.11 C ATOM 1829 CG2 VAL A 107 7.922 -3.835 6.118 1.00 22.35 C ATOM 0 H VAL A 107 9.577 -1.451 5.411 1.00 62.44 H new ATOM 0 HA VAL A 107 10.390 -2.378 8.094 1.00 13.30 H new ATOM 0 HB VAL A 107 8.906 -4.310 7.950 1.00 34.44 H new ATOM 0 HG11 VAL A 107 6.765 -3.162 8.498 1.00 21.11 H new ATOM 0 HG12 VAL A 107 8.166 -2.375 9.265 1.00 21.11 H new ATOM 0 HG13 VAL A 107 7.418 -1.651 7.822 1.00 21.11 H new ATOM 0 HG21 VAL A 107 7.009 -4.377 6.364 1.00 22.35 H new ATOM 0 HG22 VAL A 107 7.672 -2.953 5.529 1.00 22.35 H new ATOM 0 HG23 VAL A 107 8.584 -4.481 5.541 1.00 22.35 H new ATOM 1839 N THR A 108 11.794 -4.215 7.017 1.00 42.33 N ATOM 1840 CA THR A 108 12.851 -5.055 6.414 1.00 14.13 C ATOM 1841 C THR A 108 12.420 -6.535 6.422 1.00 21.43 C ATOM 1842 O THR A 108 12.662 -7.286 5.472 1.00 61.32 O ATOM 1843 CB THR A 108 14.201 -4.881 7.201 1.00 64.33 C ATOM 1844 OG1 THR A 108 14.423 -3.477 7.453 1.00 72.23 O ATOM 1845 CG2 THR A 108 15.417 -5.472 6.443 1.00 73.22 C ATOM 0 H THR A 108 11.777 -4.255 8.036 1.00 42.33 H new ATOM 0 HA THR A 108 13.004 -4.737 5.383 1.00 14.13 H new ATOM 0 HB THR A 108 14.110 -5.433 8.137 1.00 64.33 H new ATOM 0 HG1 THR A 108 15.377 -3.274 7.355 1.00 72.23 H new ATOM 0 HG21 THR A 108 16.321 -5.323 7.033 1.00 73.22 H new ATOM 0 HG22 THR A 108 15.261 -6.538 6.281 1.00 73.22 H new ATOM 0 HG23 THR A 108 15.525 -4.970 5.481 1.00 73.22 H new ATOM 1853 N ASP A 109 11.742 -6.923 7.512 1.00 2.35 N ATOM 1854 CA ASP A 109 11.400 -8.330 7.800 1.00 1.33 C ATOM 1855 C ASP A 109 9.937 -8.643 7.421 1.00 43.14 C ATOM 1856 O ASP A 109 9.079 -7.746 7.372 1.00 11.15 O ATOM 1857 CB ASP A 109 11.652 -8.635 9.313 1.00 10.44 C ATOM 1858 CG ASP A 109 11.817 -10.142 9.621 1.00 21.51 C ATOM 1859 OD1 ASP A 109 10.814 -10.876 9.673 1.00 34.55 O ATOM 1860 OD2 ASP A 109 12.962 -10.612 9.778 1.00 53.13 O ATOM 0 H ASP A 109 11.413 -6.270 8.223 1.00 2.35 H new ATOM 0 HA ASP A 109 12.040 -8.970 7.193 1.00 1.33 H new ATOM 0 HB2 ASP A 109 12.548 -8.106 9.637 1.00 10.44 H new ATOM 0 HB3 ASP A 109 10.820 -8.242 9.898 1.00 10.44 H new ATOM 1865 N ASP A 110 9.698 -9.943 7.162 1.00 53.13 N ATOM 1866 CA ASP A 110 8.365 -10.558 6.970 1.00 15.11 C ATOM 1867 C ASP A 110 7.382 -10.151 8.085 1.00 2.15 C ATOM 1868 O ASP A 110 6.297 -9.624 7.804 1.00 31.43 O ATOM 1869 CB ASP A 110 8.553 -12.106 6.961 1.00 20.45 C ATOM 1870 CG ASP A 110 7.253 -12.935 6.998 1.00 73.45 C ATOM 1871 OD1 ASP A 110 6.753 -13.233 8.107 1.00 24.10 O ATOM 1872 OD2 ASP A 110 6.758 -13.349 5.928 1.00 32.32 O ATOM 0 H ASP A 110 10.455 -10.622 7.077 1.00 53.13 H new ATOM 0 HA ASP A 110 7.939 -10.210 6.029 1.00 15.11 H new ATOM 0 HB2 ASP A 110 9.113 -12.381 6.067 1.00 20.45 H new ATOM 0 HB3 ASP A 110 9.165 -12.385 7.819 1.00 20.45 H new ATOM 1877 N GLU A 111 7.811 -10.391 9.349 1.00 53.51 N ATOM 1878 CA GLU A 111 6.982 -10.197 10.549 1.00 72.53 C ATOM 1879 C GLU A 111 6.458 -8.757 10.643 1.00 43.34 C ATOM 1880 O GLU A 111 5.277 -8.543 10.917 1.00 0.42 O ATOM 1881 CB GLU A 111 7.766 -10.566 11.848 1.00 33.32 C ATOM 1882 CG GLU A 111 8.983 -9.666 12.178 1.00 74.14 C ATOM 1883 CD GLU A 111 9.639 -9.958 13.537 1.00 12.22 C ATOM 1884 OE1 GLU A 111 10.200 -11.064 13.713 1.00 44.30 O ATOM 1885 OE2 GLU A 111 9.610 -9.077 14.431 1.00 3.32 O ATOM 0 H GLU A 111 8.751 -10.727 9.558 1.00 53.51 H new ATOM 0 HA GLU A 111 6.128 -10.869 10.458 1.00 72.53 H new ATOM 0 HB2 GLU A 111 7.074 -10.532 12.690 1.00 33.32 H new ATOM 0 HB3 GLU A 111 8.112 -11.596 11.761 1.00 33.32 H new ATOM 0 HG2 GLU A 111 9.731 -9.786 11.394 1.00 74.14 H new ATOM 0 HG3 GLU A 111 8.665 -8.624 12.158 1.00 74.14 H new ATOM 1892 N GLU A 112 7.349 -7.791 10.344 1.00 10.24 N ATOM 1893 CA GLU A 112 7.066 -6.362 10.478 1.00 52.21 C ATOM 1894 C GLU A 112 5.982 -5.926 9.476 1.00 61.23 C ATOM 1895 O GLU A 112 5.104 -5.140 9.821 1.00 4.14 O ATOM 1896 CB GLU A 112 8.353 -5.530 10.271 1.00 10.11 C ATOM 1897 CG GLU A 112 9.520 -5.840 11.226 1.00 63.44 C ATOM 1898 CD GLU A 112 10.725 -4.911 10.977 1.00 34.20 C ATOM 1899 OE1 GLU A 112 11.465 -5.135 9.995 1.00 52.30 O ATOM 1900 OE2 GLU A 112 10.906 -3.926 11.728 1.00 62.40 O ATOM 0 H GLU A 112 8.289 -7.989 10.001 1.00 10.24 H new ATOM 0 HA GLU A 112 6.696 -6.183 11.487 1.00 52.21 H new ATOM 0 HB2 GLU A 112 8.698 -5.680 9.248 1.00 10.11 H new ATOM 0 HB3 GLU A 112 8.099 -4.475 10.370 1.00 10.11 H new ATOM 0 HG2 GLU A 112 9.184 -5.732 12.257 1.00 63.44 H new ATOM 0 HG3 GLU A 112 9.828 -6.878 11.098 1.00 63.44 H new ATOM 1907 N ALA A 113 6.049 -6.483 8.251 1.00 72.35 N ATOM 1908 CA ALA A 113 5.074 -6.189 7.179 1.00 72.35 C ATOM 1909 C ALA A 113 3.662 -6.670 7.566 1.00 65.02 C ATOM 1910 O ALA A 113 2.680 -5.944 7.371 1.00 33.23 O ATOM 1911 CB ALA A 113 5.524 -6.831 5.856 1.00 62.43 C ATOM 0 H ALA A 113 6.775 -7.145 7.976 1.00 72.35 H new ATOM 0 HA ALA A 113 5.032 -5.108 7.044 1.00 72.35 H new ATOM 0 HB1 ALA A 113 4.796 -6.606 5.076 1.00 62.43 H new ATOM 0 HB2 ALA A 113 6.497 -6.432 5.570 1.00 62.43 H new ATOM 0 HB3 ALA A 113 5.598 -7.911 5.982 1.00 62.43 H new ATOM 1917 N LEU A 114 3.599 -7.883 8.160 1.00 75.34 N ATOM 1918 CA LEU A 114 2.343 -8.493 8.657 1.00 21.40 C ATOM 1919 C LEU A 114 1.754 -7.656 9.811 1.00 55.52 C ATOM 1920 O LEU A 114 0.528 -7.514 9.933 1.00 4.44 O ATOM 1921 CB LEU A 114 2.615 -9.944 9.142 1.00 43.24 C ATOM 1922 CG LEU A 114 3.202 -10.925 8.081 1.00 74.24 C ATOM 1923 CD1 LEU A 114 3.525 -12.297 8.707 1.00 12.24 C ATOM 1924 CD2 LEU A 114 2.254 -11.067 6.875 1.00 13.31 C ATOM 0 H LEU A 114 4.420 -8.469 8.309 1.00 75.34 H new ATOM 0 HA LEU A 114 1.621 -8.516 7.840 1.00 21.40 H new ATOM 0 HB2 LEU A 114 3.303 -9.900 9.986 1.00 43.24 H new ATOM 0 HB3 LEU A 114 1.680 -10.362 9.515 1.00 43.24 H new ATOM 0 HG LEU A 114 4.139 -10.502 7.718 1.00 74.24 H new ATOM 0 HD11 LEU A 114 3.932 -12.959 7.943 1.00 12.24 H new ATOM 0 HD12 LEU A 114 4.257 -12.170 9.505 1.00 12.24 H new ATOM 0 HD13 LEU A 114 2.614 -12.733 9.117 1.00 12.24 H new ATOM 0 HD21 LEU A 114 2.688 -11.756 6.151 1.00 13.31 H new ATOM 0 HD22 LEU A 114 1.292 -11.452 7.212 1.00 13.31 H new ATOM 0 HD23 LEU A 114 2.111 -10.093 6.408 1.00 13.31 H new ATOM 1936 N LYS A 115 2.663 -7.097 10.638 1.00 52.44 N ATOM 1937 CA LYS A 115 2.304 -6.229 11.767 1.00 63.23 C ATOM 1938 C LYS A 115 1.671 -4.923 11.265 1.00 25.35 C ATOM 1939 O LYS A 115 0.635 -4.548 11.769 1.00 40.34 O ATOM 1940 CB LYS A 115 3.541 -5.933 12.668 1.00 54.35 C ATOM 1941 CG LYS A 115 4.070 -7.167 13.424 1.00 31.13 C ATOM 1942 CD LYS A 115 5.375 -6.896 14.207 1.00 13.31 C ATOM 1943 CE LYS A 115 5.942 -8.175 14.843 1.00 52.44 C ATOM 1944 NZ LYS A 115 7.186 -7.928 15.624 1.00 32.53 N ATOM 0 H LYS A 115 3.668 -7.239 10.536 1.00 52.44 H new ATOM 0 HA LYS A 115 1.569 -6.757 12.375 1.00 63.23 H new ATOM 0 HB2 LYS A 115 4.341 -5.528 12.049 1.00 54.35 H new ATOM 0 HB3 LYS A 115 3.276 -5.162 13.391 1.00 54.35 H new ATOM 0 HG2 LYS A 115 3.304 -7.514 14.118 1.00 31.13 H new ATOM 0 HG3 LYS A 115 4.244 -7.973 12.711 1.00 31.13 H new ATOM 0 HD2 LYS A 115 6.118 -6.465 13.535 1.00 13.31 H new ATOM 0 HD3 LYS A 115 5.184 -6.158 14.986 1.00 13.31 H new ATOM 0 HE2 LYS A 115 5.189 -8.615 15.497 1.00 52.44 H new ATOM 0 HE3 LYS A 115 6.149 -8.904 14.060 1.00 52.44 H new ATOM 0 HZ1 LYS A 115 7.992 -8.377 15.144 1.00 32.53 H new ATOM 0 HZ2 LYS A 115 7.353 -6.904 15.696 1.00 32.53 H new ATOM 0 HZ3 LYS A 115 7.083 -8.330 16.578 1.00 32.53 H new ATOM 1958 N ILE A 116 2.277 -4.280 10.235 1.00 1.12 N ATOM 1959 CA ILE A 116 1.817 -2.955 9.723 1.00 12.04 C ATOM 1960 C ILE A 116 0.413 -3.044 9.086 1.00 4.32 C ATOM 1961 O ILE A 116 -0.374 -2.089 9.177 1.00 31.35 O ATOM 1962 CB ILE A 116 2.837 -2.321 8.702 1.00 71.30 C ATOM 1963 CG1 ILE A 116 4.241 -2.143 9.348 1.00 71.24 C ATOM 1964 CG2 ILE A 116 2.338 -0.964 8.136 1.00 32.41 C ATOM 1965 CD1 ILE A 116 4.290 -1.243 10.570 1.00 71.25 C ATOM 0 H ILE A 116 3.086 -4.654 9.740 1.00 1.12 H new ATOM 0 HA ILE A 116 1.761 -2.298 10.591 1.00 12.04 H new ATOM 0 HB ILE A 116 2.916 -3.020 7.869 1.00 71.30 H new ATOM 0 HG12 ILE A 116 4.620 -3.126 9.627 1.00 71.24 H new ATOM 0 HG13 ILE A 116 4.920 -1.741 8.595 1.00 71.24 H new ATOM 0 HG21 ILE A 116 3.075 -0.568 7.438 1.00 32.41 H new ATOM 0 HG22 ILE A 116 1.390 -1.112 7.618 1.00 32.41 H new ATOM 0 HG23 ILE A 116 2.197 -0.258 8.954 1.00 32.41 H new ATOM 0 HD11 ILE A 116 5.314 -1.188 10.941 1.00 71.25 H new ATOM 0 HD12 ILE A 116 3.948 -0.244 10.300 1.00 71.25 H new ATOM 0 HD13 ILE A 116 3.644 -1.650 11.348 1.00 71.25 H new ATOM 1977 N VAL A 117 0.112 -4.205 8.463 1.00 15.53 N ATOM 1978 CA VAL A 117 -1.244 -4.531 7.979 1.00 14.24 C ATOM 1979 C VAL A 117 -2.258 -4.369 9.137 1.00 64.21 C ATOM 1980 O VAL A 117 -3.211 -3.604 9.023 1.00 72.15 O ATOM 1981 CB VAL A 117 -1.302 -5.991 7.377 1.00 45.12 C ATOM 1982 CG1 VAL A 117 -2.740 -6.404 6.977 1.00 4.34 C ATOM 1983 CG2 VAL A 117 -0.342 -6.122 6.168 1.00 32.22 C ATOM 0 H VAL A 117 0.799 -4.937 8.283 1.00 15.53 H new ATOM 0 HA VAL A 117 -1.506 -3.841 7.177 1.00 14.24 H new ATOM 0 HB VAL A 117 -0.977 -6.674 8.162 1.00 45.12 H new ATOM 0 HG11 VAL A 117 -2.728 -7.415 6.569 1.00 4.34 H new ATOM 0 HG12 VAL A 117 -3.385 -6.375 7.856 1.00 4.34 H new ATOM 0 HG13 VAL A 117 -3.121 -5.713 6.225 1.00 4.34 H new ATOM 0 HG21 VAL A 117 -0.397 -7.134 5.768 1.00 32.22 H new ATOM 0 HG22 VAL A 117 -0.631 -5.410 5.395 1.00 32.22 H new ATOM 0 HG23 VAL A 117 0.678 -5.914 6.489 1.00 32.22 H new ATOM 1993 N ARG A 118 -1.944 -5.014 10.280 1.00 11.20 N ATOM 1994 CA ARG A 118 -2.790 -5.008 11.497 1.00 53.43 C ATOM 1995 C ARG A 118 -2.802 -3.613 12.176 1.00 30.30 C ATOM 1996 O ARG A 118 -3.857 -3.154 12.648 1.00 30.21 O ATOM 1997 CB ARG A 118 -2.277 -6.096 12.490 1.00 71.34 C ATOM 1998 CG ARG A 118 -2.255 -7.532 11.911 1.00 43.11 C ATOM 1999 CD ARG A 118 -1.667 -8.572 12.894 1.00 40.22 C ATOM 2000 NE ARG A 118 -2.399 -8.622 14.175 1.00 51.22 N ATOM 2001 CZ ARG A 118 -3.487 -9.372 14.438 1.00 21.13 C ATOM 2002 NH1 ARG A 118 -4.017 -10.178 13.517 1.00 11.21 N ATOM 2003 NH2 ARG A 118 -4.058 -9.298 15.628 1.00 65.32 N ATOM 0 H ARG A 118 -1.089 -5.559 10.387 1.00 11.20 H new ATOM 0 HA ARG A 118 -3.816 -5.235 11.206 1.00 53.43 H new ATOM 0 HB2 ARG A 118 -1.269 -5.831 12.811 1.00 71.34 H new ATOM 0 HB3 ARG A 118 -2.908 -6.085 13.379 1.00 71.34 H new ATOM 0 HG2 ARG A 118 -3.270 -7.826 11.645 1.00 43.11 H new ATOM 0 HG3 ARG A 118 -1.670 -7.538 10.992 1.00 43.11 H new ATOM 0 HD2 ARG A 118 -1.688 -9.558 12.429 1.00 40.22 H new ATOM 0 HD3 ARG A 118 -0.621 -8.333 13.087 1.00 40.22 H new ATOM 0 HE ARG A 118 -2.049 -8.034 14.931 1.00 51.22 H new ATOM 0 HH11 ARG A 118 -3.598 -10.237 12.589 1.00 11.21 H new ATOM 0 HH12 ARG A 118 -4.841 -10.736 13.741 1.00 11.21 H new ATOM 0 HH21 ARG A 118 -3.675 -8.676 16.340 1.00 65.32 H new ATOM 0 HH22 ARG A 118 -4.882 -9.863 15.834 1.00 65.32 H new ATOM 2017 N GLU A 119 -1.618 -2.963 12.218 1.00 34.10 N ATOM 2018 CA GLU A 119 -1.424 -1.620 12.809 1.00 21.31 C ATOM 2019 C GLU A 119 -2.349 -0.588 12.157 1.00 33.13 C ATOM 2020 O GLU A 119 -2.924 0.255 12.843 1.00 41.24 O ATOM 2021 CB GLU A 119 0.052 -1.149 12.659 1.00 31.12 C ATOM 2022 CG GLU A 119 1.092 -1.944 13.473 1.00 23.11 C ATOM 2023 CD GLU A 119 0.841 -1.902 14.990 1.00 52.41 C ATOM 2024 OE1 GLU A 119 1.076 -0.842 15.612 1.00 55.34 O ATOM 2025 OE2 GLU A 119 0.423 -2.929 15.573 1.00 63.04 O ATOM 0 H GLU A 119 -0.759 -3.361 11.838 1.00 34.10 H new ATOM 0 HA GLU A 119 -1.669 -1.699 13.868 1.00 21.31 H new ATOM 0 HB2 GLU A 119 0.326 -1.201 11.605 1.00 31.12 H new ATOM 0 HB3 GLU A 119 0.112 -0.101 12.953 1.00 31.12 H new ATOM 0 HG2 GLU A 119 1.087 -2.982 13.140 1.00 23.11 H new ATOM 0 HG3 GLU A 119 2.086 -1.547 13.265 1.00 23.11 H new ATOM 2032 N PHE A 120 -2.468 -0.674 10.827 1.00 63.22 N ATOM 2033 CA PHE A 120 -3.360 0.181 10.037 1.00 50.35 C ATOM 2034 C PHE A 120 -4.833 -0.048 10.421 1.00 4.44 C ATOM 2035 O PHE A 120 -5.593 0.912 10.544 1.00 42.04 O ATOM 2036 CB PHE A 120 -3.142 -0.089 8.524 1.00 35.31 C ATOM 2037 CG PHE A 120 -4.129 0.631 7.601 1.00 13.52 C ATOM 2038 CD1 PHE A 120 -3.915 1.954 7.208 1.00 15.44 C ATOM 2039 CD2 PHE A 120 -5.290 -0.011 7.145 1.00 11.34 C ATOM 2040 CE1 PHE A 120 -4.821 2.603 6.392 1.00 50.41 C ATOM 2041 CE2 PHE A 120 -6.194 0.646 6.338 1.00 44.10 C ATOM 2042 CZ PHE A 120 -5.959 1.945 5.959 1.00 62.12 C ATOM 0 H PHE A 120 -1.944 -1.344 10.265 1.00 63.22 H new ATOM 0 HA PHE A 120 -3.121 1.223 10.252 1.00 50.35 H new ATOM 0 HB2 PHE A 120 -2.129 0.212 8.257 1.00 35.31 H new ATOM 0 HB3 PHE A 120 -3.214 -1.162 8.345 1.00 35.31 H new ATOM 0 HD1 PHE A 120 -3.032 2.475 7.546 1.00 15.44 H new ATOM 0 HD2 PHE A 120 -5.478 -1.035 7.431 1.00 11.34 H new ATOM 0 HE1 PHE A 120 -4.641 3.625 6.092 1.00 50.41 H new ATOM 0 HE2 PHE A 120 -7.087 0.139 6.004 1.00 44.10 H new ATOM 0 HZ PHE A 120 -6.665 2.455 5.321 1.00 62.12 H new ATOM 2052 N MET A 121 -5.217 -1.323 10.621 1.00 20.41 N ATOM 2053 CA MET A 121 -6.638 -1.708 10.814 1.00 70.40 C ATOM 2054 C MET A 121 -7.234 -1.116 12.097 1.00 64.21 C ATOM 2055 O MET A 121 -8.459 -0.984 12.207 1.00 74.33 O ATOM 2056 CB MET A 121 -6.816 -3.238 10.816 1.00 35.15 C ATOM 2057 CG MET A 121 -6.197 -3.922 9.604 1.00 14.05 C ATOM 2058 SD MET A 121 -6.629 -3.145 8.033 1.00 43.50 S ATOM 2059 CE MET A 121 -5.814 -4.221 6.850 1.00 54.34 C ATOM 0 H MET A 121 -4.567 -2.108 10.654 1.00 20.41 H new ATOM 0 HA MET A 121 -7.181 -1.291 9.966 1.00 70.40 H new ATOM 0 HB2 MET A 121 -6.369 -3.647 11.722 1.00 35.15 H new ATOM 0 HB3 MET A 121 -7.880 -3.472 10.852 1.00 35.15 H new ATOM 0 HG2 MET A 121 -5.112 -3.923 9.713 1.00 14.05 H new ATOM 0 HG3 MET A 121 -6.516 -4.964 9.584 1.00 14.05 H new ATOM 0 HE1 MET A 121 -5.999 -3.857 5.839 1.00 54.34 H new ATOM 0 HE2 MET A 121 -4.741 -4.227 7.043 1.00 54.34 H new ATOM 0 HE3 MET A 121 -6.206 -5.233 6.948 1.00 54.34 H new ATOM 2069 N GLN A 122 -6.375 -0.799 13.082 1.00 70.41 N ATOM 2070 CA GLN A 122 -6.789 -0.004 14.242 1.00 42.05 C ATOM 2071 C GLN A 122 -6.544 1.501 13.955 1.00 44.34 C ATOM 2072 O GLN A 122 -7.491 2.277 13.950 1.00 63.00 O ATOM 2073 CB GLN A 122 -6.104 -0.485 15.560 1.00 11.10 C ATOM 2074 CG GLN A 122 -4.568 -0.435 15.615 1.00 34.42 C ATOM 2075 CD GLN A 122 -4.002 -0.859 16.982 1.00 60.31 C ATOM 2076 OE1 GLN A 122 -3.717 -2.037 17.217 1.00 22.42 O ATOM 2077 NE2 GLN A 122 -3.855 0.089 17.900 1.00 1.00 N ATOM 0 H GLN A 122 -5.395 -1.082 13.094 1.00 70.41 H new ATOM 0 HA GLN A 122 -7.857 -0.149 14.403 1.00 42.05 H new ATOM 0 HB2 GLN A 122 -6.491 0.119 16.381 1.00 11.10 H new ATOM 0 HB3 GLN A 122 -6.415 -1.513 15.746 1.00 11.10 H new ATOM 0 HG2 GLN A 122 -4.161 -1.086 14.841 1.00 34.42 H new ATOM 0 HG3 GLN A 122 -4.234 0.578 15.388 1.00 34.42 H new ATOM 0 HE21 GLN A 122 -4.098 1.055 17.679 1.00 1.00 H new ATOM 0 HE22 GLN A 122 -3.499 -0.148 18.826 1.00 1.00 H new